[gmx-users] Energy minimisation step in Lipid protein simulation

Justin Lemkul 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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