../
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Ag.VC.funcfl
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ag.u3.funcfl
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
Ag.u6.funcfl
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
Al.VC.funcfl
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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
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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.
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Au.u6.funcfl
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
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CLAYFF.frc
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2484
(18 years ago)
by gezelter:
Adding .frc file for CLAYFF
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Cu.VC.funcfl
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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
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
DUFF2.frc
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2953
(18 years ago)
by chrisfen:
Added TRED parameters to forcefield
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EAM.VC.frc
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1923
(19 years ago)
by tim:
adding new format of EAM force field
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EAM.frc
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1923
(19 years ago)
by tim:
adding new format of EAM force field
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EAM.u3.frc
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1923
(19 years ago)
by tim:
adding new format of EAM force field
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EAM.u6.frc
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1923
(19 years ago)
by tim:
adding new format of EAM force field
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Makefile
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2554
(18 years ago)
by gezelter:
All of the OpenBabel stuff needs to be installed
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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
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
Pd.u6.funcfl
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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
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1490
(19 years ago)
by gezelter:
Import of OOPSE v. 2.0
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SMARTS_InteLigand.txt
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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SuttonChen.QSC.frc
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2561
(18 years ago)
by chuckv:
Changes in Sutton-Chen units
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SuttonChen.SC.frc
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3134
(17 years ago)
by chuckv:
Changes to sutton-chen force.
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SuttonChen.frc
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2561
(18 years ago)
by chuckv:
Changes in Sutton-Chen units
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WATER.frc
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2130
(19 years ago)
by chrisfen:
Corrected changes to the forcefield files
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aromatic.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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atomtyp.txt
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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bondtyp.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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element.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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isotope-small.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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isotope.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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patterns.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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phmodel.txt
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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resdata.txt
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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torlib.txt
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2459
(18 years ago)
by tim:
adding openbabel data files
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types.txt
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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