On 3/03/2012 6:21 PM, arun kumar wrote:
yes other gromacs tools are working properly ...i installed gromacs in
/usr/local/
so i used the command /usr/local/gromacs/bin/./do_dssp -s md.tpr -f
md.xtc -o ss.xpm
and i also set the environment variable as export
DSSP=/usr/local/gromacs/bin/do_dssp
You should have posted all of this information last time. See do_dssp -h
for how to set DSSP in a way that will actually have a chance of
working. And if it still doesn't work, do the other half of the tests I
suggested last time before posting again :-)
Mark
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