[gmx-users] tpr file

Justin Lemkul jalemkul at vt.edu
Thu Jan 23 14:18:17 CET 2014



On 1/23/14, 8:13 AM, shahab shariati wrote:
> Dear Gromacs users
>
> I have DMPC + cholesterol + water molecules in my system.
>
> grompp tool create *.tpr file containing DMPC + cholesterol + water
> molecules. But I need a new tpr file only containing hydrophobic chain of
> DOPC (tail).
>
> How to do this?
>

Read tpbconv -h.

-Justin

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

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

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


More information about the gromacs.org_gmx-users mailing list