 ../
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obj/
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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1PSI.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
|
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1cbsS8.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
|
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1hbqS7.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
|
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1mboH4.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
|
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1mboH6.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
|
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1ypiH10.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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1ypiH13.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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1ypiS1.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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2cnaB1.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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2cnaR1.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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2cnaR2.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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FST_semi_memo.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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FST_semi_memo.h
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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GridBuilder.cpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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GridBuilder.hpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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LJ.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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Make.dep
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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Makefile
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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MatVec3.c
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1271
(20 years ago)
by gezelter:
Major changes for rigidbodies
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MatVec3.h
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1271
(20 years ago)
by gezelter:
Major changes for rigidbodies
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PDBReader.cpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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PDBReader.hpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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RigidBody.cpp
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1288
(20 years ago)
by chrisfen:
touch up changes
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RigidBody.hpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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SphereHarm.cpp
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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SphereHarm.hpp
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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VDWAtom.cpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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VDWAtom.hpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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amber99.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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charmm27.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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cospmls.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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cospmls.h
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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fluid-H.pdb
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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forcer.cpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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forcer.ggo
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1275
(20 years ago)
by chrisfen:
Added a bandwidth command-line option
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forcerCmd.c
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1285
(20 years ago)
by chrisfen:
Fixes to gridbuilder. Now gives proper sigma, s, and epsilon values
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forcerCmd.h
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1285
(20 years ago)
by chrisfen:
Fixes to gridbuilder. Now gives proper sigma, s, and epsilon values
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gaff.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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linear.pdb
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1285
(20 years ago)
by chrisfen:
Fixes to gridbuilder. Now gives proper sigma, s, and epsilon values
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makeweights.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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makeweights.h
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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naive_synthesis.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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naive_synthesis.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
|
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oplsaal.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
|
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pmls.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
|
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pmls.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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primitive.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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primitive.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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seminaive.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
|
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seminaive.h
|
1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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