[gmx-users] Possible to extract gro file from a tpr?

[Justin Lemkul]

On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl <vivecalindahl at gmail.com>
wrote:

> Hi users,
>
> Is it possible to extract a gro file from a tpr?  Unfortunately 'gmx mdrun
> -nsteps 0' does not give a confout.gro :)
>

Just use editconf.

-Justin


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> Viveca
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-- 

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

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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