[gmx-users] Regarding tc-grps

[Justin Lemkul]

On 9/29/16 10:31 AM, Anurag Dobhal wrote:
> Dear Gromacs users,
>
> I am simulating a polymer chain without any solvent using OPLS AA force
> field, how many tc-grps  should I put in the .mdp file ? as there is only
> one 1 group in the topol.top file.
>

Then what option do you have?  If you've got a polymer and nothing else, there's 
no way to create separate tc-grps, anyway.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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