 ../
|
Ag.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u3.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u6.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Al.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.u3.funcfl
|
1024
(18 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
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
CLAYFF.frc
|
785
(19 years ago)
by gezelter:
Adding .frc file for CLAYFF
|
|
Cu.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Cu.u3.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Cu.u6.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
DUFF2.frc
|
1007
(18 years ago)
by chrisfen:
Added TRED parameters to forcefield
|
|
EAM.VC.frc
|
244
(20 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.frc
|
244
(20 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.u3.frc
|
244
(20 years ago)
by tim:
adding new format of EAM force field
|
|
EAM.u6.frc
|
244
(20 years ago)
by tim:
adding new format of EAM force field
|
|
Makefile
|
855
(19 years ago)
by gezelter:
All of the OpenBabel stuff needs to be installed
|
|
Ni.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ni.u3.funcfl
|
1024
(18 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
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.u3.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pd.u6.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.VC.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.u3.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Pt.u6.funcfl
|
2
(20 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
SMARTS_InteLigand_051110.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
SuttonChen.QSC.frc
|
862
(19 years ago)
by chuckv:
Changes in Sutton-Chen units
|
|
SuttonChen.SC.frc
|
830
(19 years ago)
by chuckv:
Changes in forcefield.
|
|
SuttonChen.frc
|
862
(19 years ago)
by chuckv:
Changes in Sutton-Chen units
|
|
WATER.frc
|
446
(20 years ago)
by chrisfen:
Corrected changes to the forcefield files
|
|
aromatic.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
atomtyp.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
bondtyp.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
element.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
extable.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
isotope-small.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
isotope.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
patterns.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
phmodel.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
resdata.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
torlib.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
|
types.txt
|
760
(19 years ago)
by tim:
adding openbabel data files
|
