[gmx-users] how to let gromacs NOT calculate intra-molecular electrostatics in a molecule
parachuternewyork at gmail.com
Wed Oct 21 02:46:24 CEST 2015
in other words, I want to just assume ALL intra-molecular electrostatics
(charge-charge interaction) in this
molecule are 0, instead of calculate them in the simulation.
2015-10-21 8:43 GMT+08:00 li he <parachuternewyork at gmail.com>:
> 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.
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