[gmx-users] Index error

Justin Lemkul jalemkul at vt.edu
Thu Jul 25 22:38:16 CEST 2013

Please don't reply to the whole digest.

On 7/25/13 1:47 PM, Collins Nganou wrote:
> Dear Justin,
> Thanks for your answer...
> I move so far...
> My aim was to ask gromacs to read directly a modify protein SOL+NA, not
> protein SOL NA
> But I have not succeed so far.

I don't understand what you're asking here, and without exact commands, output, 
.mdp settings, etc there's little anyone can do to assist you.  Again, the task 
that you need to carry out is described explicitly in most tutorials so please 
do make an effort to follow existing protocols.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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