[gmx-users] [ dihedraltypes ]

akram gorji lotus6150 at gmail.com
Sat Jun 26 22:55:41 CEST 2010


Hi everyone
According to OPLS-AA  force field, I want to complete section of [
dihedraltypes ] in ff… bon.itp between 4 atoms (carbonyl  C , Benzene
C , Benzene C , Benzene H ) and also (carbonyl  C , Benzene C ,
Benzene C , Benzene C )for the structure of  Benzoic acid . Can you
help me? Thank you



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