[gmx-users] gen_pairs to calculate absent 1-4 interactions in CHARMM36c FF
Ricardo O. S. Soares
ross_usp at yahoo.com.br
Thu Apr 26 21:21:38 CEST 2012
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?
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