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

[Justin Lemkul]

On 6/12/14, 7:14 AM, Balasubramanian Suriyanarayanan wrote:
> But is not "confout.gro" the output of the compression step.
>
> the command is
> "perl inflategro.pl system.gro 4 POPC 0 system_inflated.gro 5 area.dat"
>
> or else what is the output of above command.
>

Read the InflateGRO documentation (top of the script).

-Justin

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

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
http://mackerell.umaryland.edu/~jalemkul

==================================================