[gmx-users] Problems with trjconv

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Fri Feb 16 21:00:13 CET 2018

Where shud i see the answer Justin? Please tell me

De: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> en nombre de Justin Lemkul <jalemkul at vt.edu>
Enviado: viernes, 16 de febrero de 2018 11:50 a. m.
Para: gmx-users at gromacs.org
Asunto: Re: [gmx-users] Problems with trjconv

On 2/16/18 2:35 PM, Poncho Arvayo Zatarain wrote:
> Hello Gomacs users: I have a problem with a lipid bilayer. The bilayers is inverted, the water is in the middle and the lipid tails are outside. How can i flip it to a correct way? I´m trying with gmx trjconv -f file.gro -s file.tpr -n index -o file.gro -pbc whole but nothing happens. In index i use option System. What can i do to flip the bilayer? should i use lipid and water options in index?

I answered this earlier this morning. Please try what I suggested.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
Justin Lemkul<http://www.biochem.vt.edu/people/faculty/JustinLemkul.html>


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