Piotr Adam Pieniazek wrote:
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.
Sorry for the confusion. The easy way to check is to run
gmxdump -s topol.tpr |more
then search for UR and check the parameter names and values.
Thanks,
Piotr
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