[gmx-users] about converting output

Justin A. Lemkul jalemkul at vt.edu
Mon Jan 5 14:48:55 CET 2009



Shirin Awasthi wrote:
> hi.
> I have finished an mdrun of my protein upto position restraints step.
> now i want to obtain the output in .pdb format.
> what is the exact command for that?

Use editconf to transform the .gro into .pdb; if you want to transform a 
trajectory, use trjconv.

-Justin

> 
> -- 
> Shirin Awasthi
> M.Tech (CSB)
> Center for Computational Biology and Bioinformatics,
> School of Information Technology,
> Jawaharlal Nehru University,
> New Delhi,
> 110067
> INDIA.
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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