[gmx-users] dssp problem
pawan raghav
pwnrghv at gmail.com
Sat May 1 15:25:35 CEST 2010
I have download dsspcmbi.zip and extract the dssp folder into
/cygdrive/c/cygwin/usr/local/bin/ directory. Then
set the environment variable export
DSSP=/cygdrive/c/cygwin/usr/local/bin/dssp for bash. then I have gone to my
folder by using cd where all my md files were present i.e.
/cygdrive/c/gromacs-4.0.7. At last I executed the command do_dssp -f
traj.xtc -s md.tpr -n index.ndx -aa area.xvg after preformed this I still
got an error i.e. Fatal error: failed to execute command:
/cygdrive/c/cygwin/usr/local/bin/dssp ddrN1s8q dd4bcjqa > /dev/null 2>
/dev/null
Please rectify this..
--
Pawan
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