/home/dssp seems like a strange path. Are you sure you set DSSP correctly? Erik On 8 May 2013, at 15:19, Sainitin Donakonda <saigr...@gmail.com> wrote:
> 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 gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
