[gmx-users] Md simulation of protein ligand error.

Justin Lemkul jalemkul at vt.edu
Tue Nov 8 16:17:42 CET 2016

On 11/8/16 10:15 AM, maria khan wrote:
> Dear justin..
>   My problem of protein ligand simulation , regarding protonation states
> for His residue has solved..now that error exists no more.There are two
> things that i want to share,,one is that i didnot get how that problem
> solved,i just followed that manuals while i have no idea how it just
> solved..secondly it gives furthur another error that says that is
> "software inconsistancy error"can u kindly guide me please,

There is nothing anyone can do to help you without an exact description of what 
you're doing - what version you're using, exact commands, exact screen output 
(everything copied and pasted from the terminal).



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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


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