[gmx-users] Problem in mdrun (writing xtc files)

Nuno R. L. Ferreira nunolf at ci.uc.pt
Mon Sep 13 12:16:24 CEST 2004

----- Original Message ----- 
From: "Alok" <alokjain at iitk.ac.in>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Monday, September 13, 2004 10:59 AM
Subject: Re: [gmx-users] Problem in mdrun (writing xtc files)


Thanks for ur reply. now its genrating the .xtc file.
but it is genrating the dppc128out.gro only when my job is complete and
not if i kill my job (by using kill -USR1 or by kill -9 ) in between. so
what is the resone can u tell me???
I also want to know how i can see the structure of my proteins/lipids in
insight b'use insight is not reconize .xtc format, is there  any way to
convert it in .pdb or any other suitable format.

Hi Alok
You can convert xtc to pdb using trjconv.
I do not know if Insight reads xtc, but VMD does.

Nuno Ricardo Santos Loureiro da Silva Ferreira
Ph.D student
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra
\" Do not worry about your dificulties in mathematics.
   I can assure you that mine are still greater.\"

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