[gmx-users] Question regarding rebuilding the simulation box

Justin Lemkul jalemkul at vt.edu
Thu Mar 9 02:31:39 CET 2017

On 3/8/17 5:23 PM, ali.khourshaei71 at student.sharif.edu wrote:
> Dear Gromacs users,
> If I want to modify an available simulation box ( 128 DPPC + 2000 W) and
> change it into a cubic one is the below command true or not?
> editconf -f Input.gro -bt cubic -box 10 -o Output.gro

What happens when you visualize Output.gro and display the box vectors?



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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