 ../
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types.txt
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760
(19 years ago)
by tim:
adding openbabel data files
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torlib.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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resdata.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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phmodel.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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patterns.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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isotope.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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isotope-small.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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extable.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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element.txt
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760
(19 years ago)
by tim:
adding openbabel data files
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bondtyp.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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atomtyp.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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aromatic.txt
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760
(19 years ago)
by tim:
adding openbabel data files
|
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WATER.frc
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446
(20 years ago)
by chrisfen:
Corrected changes to the forcefield files
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SuttonChen.frc
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862
(19 years ago)
by chuckv:
Changes in Sutton-Chen units
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SuttonChen.SC.frc
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830
(19 years ago)
by chuckv:
Changes in forcefield.
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SuttonChen.QSC.frc
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862
(19 years ago)
by chuckv:
Changes in Sutton-Chen units
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SMARTS_InteLigand_051110.txt
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760
(19 years ago)
by tim:
adding openbabel data files
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Pt.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pt.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Pt.VC.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Pd.u6.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Pd.u3.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Pd.VC.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Ni.u6.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Ni.u3.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Ni.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Makefile
|
855
(19 years ago)
by gezelter:
All of the OpenBabel stuff needs to be installed
|
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EAM.u6.frc
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244
(20 years ago)
by tim:
adding new format of EAM force field
|
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EAM.u3.frc
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244
(20 years ago)
by tim:
adding new format of EAM force field
|
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EAM.frc
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244
(20 years ago)
by tim:
adding new format of EAM force field
|
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EAM.VC.frc
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244
(20 years ago)
by tim:
adding new format of EAM force field
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DUFF2.frc
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983
(19 years ago)
by gezelter:
testing GB, removing CM drift in Langevin Dynamics, fixing a memory
leak, adding a visitor
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Cu.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Cu.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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Cu.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
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CLAYFF.frc
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785
(19 years ago)
by gezelter:
Adding .frc file for CLAYFF
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Au.u6.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.u3.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Au.VC.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Al.VC.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u6.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.u3.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
|
Ag.VC.funcfl
|
2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
|
