[gmx-users] Energy minimisation step in Lipid protein simulation
jalemkul at vt.edu
Thu Jun 12 11:45:29 CEST 2014
On 6/12/14, 4:54 AM, Balasubramanian Suriyanarayanan wrote:
> Dear friends, In protein lipid simulation , when I do energy minimisation
> ster I get an error as " Eeeeek! No confout.gro at all!
> Died at inflategro.pl line 104."
> What is "confout.gro". If am right it is the output file that we get from
> the minimisation step.
> I used the command " perl inflategro.pl confout.gro 0.95 POPC 0
> system_shrink1.gro 5 area_shrink1.dat".
You're specifying confout.gro as the source of coordinates. Apparently that
file doesn't exist in the working directory, so InflateGRO is giving you an error.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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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