Hello, I am trying to secondary structure analysis using DSSP in gromacs so i followed this procedure
First I downloaded dssp wget ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64 -O ~/dssp this gave dssp executable file in my home directory I checked ./dssp ...it works Then i set environment variable as follows export DSSP=/myhomedir/dssp/dssp then i executed following command in gromacs do_dssp -f protein.xtc -s protein.tpr -sc scount.xvg -o ss.xpm -dt 10 But this gives following error *Program do_dssp, VERSION 4.5.4 Source code file: /home/toor/gromacs/gromacs-4.5.4/src/tools/do_dssp.c, line: 516 Fatal error: DSSP executable (/home/dssp) does not exist (use setenv DSSP)* * * *Can any body explain where it went wrong...* *I have gone through gromacs list but unfortunately couldnot manage to solve this simple issue* * * *Thanks,* *Nitin* -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
