[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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