 ../
|
Ag.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u3.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Al.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.u3.funcfl
|
2982
(17 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
|
|
Au.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
CLAYFF.frc
|
2484
(18 years ago)
by gezelter:
Adding .frc file for CLAYFF
|
|
Cu.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Cu.u3.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Cu.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
DUFF2.frc
|
2953
(17 years ago)
by chrisfen:
Added TRED parameters to forcefield
|
|
EAM.VC.frc
|
1923
(19 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.frc
|
1923
(19 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.u3.frc
|
1923
(19 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.u6.frc
|
1923
(19 years ago)
by tim:
adding new format of EAM force field
|
|
Makefile
|
3159
(16 years ago)
by gezelter:
Broken files on install
|
|
MnM.frc
|
3161
(16 years ago)
by chuckv:
Added metal-non-metal section
|
|
Ni.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ni.u3.funcfl
|
2982
(17 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
|
|
Ni.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.u3.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.VC.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.u3.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.u6.funcfl
|
1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
SMARTS_InteLigand.txt
|
3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
|
SuttonChen.QSC.frc
|
3156
(16 years ago)
by chuckv:
Added MnM forcefield.
|
|
SuttonChen.SC.frc
|
3134
(17 years ago)
by chuckv:
Changes to sutton-chen force.
|
|
SuttonChen.frc
|
3156
(16 years ago)
by chuckv:
Added MnM forcefield.
|
|
WATER.frc
|
2130
(19 years ago)
by chrisfen:
Corrected changes to the forcefield files
|
|
aromatic.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
atomtyp.txt
|
3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
|
bondtyp.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
element.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
isotope-small.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
isotope.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
patterns.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
phmodel.txt
|
3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
|
resdata.txt
|
3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
|
torlib.txt
|
2459
(18 years ago)
by tim:
adding openbabel data files
|
|
types.txt
|
3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
