[gmx-users] Electrostatic potential

[ithu]

I can't figure out how to put the coulombic potential only between residues
in chain A and residues in chain B, but not between residues that are in the
same chain.

Thanks,
Esteban

2010/8/28 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> 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.
>
> -Justin
>
>
>
>> Thank you very much,
>> Esteban
>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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