On 27/04/2012 5:21 AM, Ricardo O. S. Soares wrote:
Dear users,
In GROMACS, does CHARMM36 ff, calculate eventual 1-4 interactions that
are absent from the [pairtypes] section of the ffnonbonded.itp file?
I ask this because I'm converting cholesterol parameters from
CHARMM36c to gmx format, and several 1-4 values are absent in the last
two columns of the prm file.
Does setting gen_pairs to "yes" in the [defaults] section in the
forcefield.itp work?
Probably. What documentation exists is probably in the walk-through
example of manual 5.7.1. You can probably construct yourself a trivial
test case if you wish to verify how things work.
Mark
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