[gmx-users] Tabulated potentials and normal nonbonded interaction at the same time
schlesi at uni-mainz.de
Wed Sep 15 17:40:45 CEST 2010
i want to try to simulate an atomistic molecule with CG-solvent
(uncharged). For the atomistic molecule i want to use the normal
non-bonded interactions, but for the CG-solvent interaction with itself
and the molecule i need a tabulated potential.
So my question is, is that possible to do in Gromacs?
I looked a little bit into the manual and it seems that tabulated
potentials use the 'vdw_type' and/or the 'coulomb_type' keyword, which i
will need for the normal interactions.
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