[gmx-users] Fatal error when using do_dssp

Mark Abraham mark.abraham at anu.edu.au
Tue Aug 31 10:35:10 CEST 2010

----- Original Message -----
From: zhongjin <zhongjin1000 at yahoo.com.cn>
Date: Tuesday, August 31, 2010 18:23
Subject: [gmx-users] Fatal error when using do_dssp
To: gmx-users at gromacs.org

| > Hi, >  I have installed the dsspcmbi, and then add " export  DSSP=/home/hzj1000/dssp",I can use dsspcmbi.But when I use do_dssp, came across the following error: > Failed to execute command: /usr/local/bin/dssp -na ddS7CWeR dd48KVro 
> > /dev/null 2> /dev/null 
You might be trying to set the environment variable the wrong way for your shell, or not in the right window or not to the right value. See http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp


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