[gmx-users] do_dssp

Justin A. Lemkul jalemkul at vt.edu
Wed Jan 6 13:04:14 CET 2010



On 1/6/10 6:57 AM, rasoul nasiri wrote:
> Then your executable has problem. Gromacs tool can not find DSSP for
> doing d_dssp. Do you put executable DSSP in the path of gromacs is
> installed?
>

This is not necessary.  One needs to set the environment variable DSSP 
correctly, since the default location that do_dssp expects is 
/usr/local/bin/dssp, not anything to do with the location of Gromacs.

-Justin

> Rasoul.
>
> On Wed, Jan 6, 2010 at 11:58 AM, leila karami <karami.leila1 at gmail.com
> <mailto:karami.leila1 at gmail.com>> wrote:
>
>     dear Rasoul
>     I had executable dssp program, already.
>     leila karami
>
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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