shahid nayeem wrote:
Dear All
I downloaded dsspcmbi.tar.gz, and compiled using command
./DsspCompileGCC as given in Readme.txt file. when I try to run
do_dssp command in gromacs I get error
Well, what happened?
Fatal error:
DSSP executable (/usr/local/bin/dssp) does not exist (use setenv DSSP)
I checked for DSSP executible in /usr/local/bin/ and I couldnt find. I
It won't be there unless you put it there and you have re-named it. I believe
the default name of the dssp program is "dsspcmbi," which you need to change
when you move the executable.
http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp
-Justin
even tried dsspcmbi.zip file but again I got the same error. I
compiled dssp as root. Now what shoul I do in order to run do_dssp
comand of gromacs.
Shahid nayeem
--
========================================
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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