[gmx-users] Trjconv problem invalid argument

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Tue Feb 14 19:08:07 CET 2017

Ok, so should i write trjconv before -ng 3, like gmx_gpu density trjconv -ng 3 -f file.xtc -s file.tpr -o out.xtc -skip 100 or donde write -ng in the command line?


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: martes, 14 de febrero de 2017 09:53 a. m.
Para: gmx-users at gromacs.org
Asunto: Re: [gmx-users] Trjconv problem invalid argument

On 2/14/17 12:45 PM, Poncho Arvayo Zatarain wrote:
> Hello Gromacs users: I want to obtain the density of a system using the
> command: gmx_gpu density -ng trjconv -f file.xtc -s file.tpr -o out.xtc -skip
> 100, but the following error appears: Invalid command argument: trjconv. What
> is wrong with trjconv? I am using gromacs 5.0.3

Nothing is wrong with trjconv, but your command is attempting to execute trjconv
as an argument to gmx density -ng, which is complete nonsense.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

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