[gmx-users] secondary structure analysis

SHAHEE ISLAM islamshahee at gmail.com
Wed May 16 11:41:58 CEST 2018

i want calculate the secondary structure of protein in gromacs.but
when i am using this command

do_dssp -f dynamic.xtc -s dynamic.tpr -sc scount.xvg -o ss.xpm -dt 10

getting this error
Program do_dssp, VERSION 4.5.5
Source code file: /build/buildd/gromacs-4.5.5/src/tools/do_dssp.c, line: 572

Fatal error:
Failed to execute command: /usr/local/bin/dssp -na ddsbJ3bY ddT7Ubn7 >
/dev/null 2> /dev/null
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
      how i will solve this problem.please help me

More information about the gromacs.org_gmx-users mailing list