[gmx-users] Tabulated potentials and normal nonbonded interaction at the same time

Thomas Schlesier schlesi at uni-mainz.de
Wed Sep 15 17:40:45 CEST 2010


Dear Gromacs-User,
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.
Greetings
Thomas



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