[gmx-users] how to let gromacs NOT calculate intra-molecular electrostatics in a molecule

li he parachuternewyork at gmail.com
Wed Oct 21 02:43:56 CEST 2015


Dear gmxers,
I am simulating a molecule or about 100 atoms.
I doNOT want gromacs calculate ALL intra-molecular electrostatics in this
molecule. How to do that?
Thank you so~ much.
yours
bob


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