[gmx-users] counter ions in coarse grained simulations

Neha Gandhi n.gandhiau at gmail.com
Fri May 23 02:47:40 CEST 2014

Hi List,

My query is not really related to gromacs but I appreciate response from
people who might have tried using coarse grained simualtions using Martini
force field in gromacs.

I haven't come across tutorial or mailing list where people have added
counter ions to a coarse grained protein system. Do we also coarse grained
counter-ions ? or Do I assume that some sort of potential will take care of
the effect? Or are the parameters from atomistic force fields are retained
for counter-ions?

How do I add counter-ions in gromacs to coarse grained topology?

Your feedback is appreciated.


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