[gmx-users] urey-bradley format

Piotr Adam Pieniazek piotr at chem.wisc.edu
Wed Sep 24 18:35:48 CEST 2008


Hi,
I'm trying to put in a Urey-Bradly type term into my force field, but  
the format is not specified in the manual.

atom_1 atom_2 atom_3  5  angle angle_force  bond bond_force

I'm particularly confused about the last two terms. I've tried both  
combinations and the results look reasonable in both cases.

Thanks,
Piotr

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