[gmx-users] Electrostatic potential

Justin A. Lemkul jalemkul at vt.edu
Sat Aug 28 22:08:10 CEST 2010

ithu wrote:
> Hi everybody,
> I want to apply a coulombic potential between charged residues in a 
> coarse-grain model, but between residues that belong to different chains 
> of a protein complex. Both chains are name as molecule A and molecule B 
> in the topology file.

What specific problem are you having?  In order to get useful advice, you'll 
have to describe exactly what you're doing and why it's not working when you 
think it should.  A variety of models for treating electrostatic interactions 
are available in Gromacs.


> Thank you very much,
> Esteban


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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