[gmx-users] Fwd: do_dssp

Justin Lemkul jalemkul at vt.edu
Tue May 14 18:05:15 CEST 2013

On 5/14/13 11:03 AM, Preeti Choudhary wrote:
> ---------- Forwarded message ----------
> From: Preeti Choudhary <preetichoudhary18111989 at gmail.com>
> Date: Tue, May 14, 2013 at 8:30 PM
> Subject: do_dssp
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> I am facing problem while using do_dssp.I need to store secondary structure
> data every 100 ps.For this I am using -dt option.But I didn't get the
> concept of it,what is first time here?What exactly does this dt option do ?

The -dt option allows you to skip frames.  Since do_dssp is very slow, sometimes 
skipping frames is useful.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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