[gmx-users] Regarding DSSP

HANNIBAL LECTER hanniballecter13 at gmail.com
Mon Feb 16 06:21:40 CET 2015

Hello all:

I am not really sure, what are the various compatibility issues between the
do_dssp program of different Gromacs versions and the versions of the DSSP
program itself.

I am trying to use dssp 2.0.4 and Gromacs 4.5.6.

I have used

export DSSP=/usr/bin/dssp
and then do_dssp - ....

I am getting

Fatal error:
Failed to execute command: /usr/bin/dssp -na ddMjYR8P ddfm1ecX > /dev/null
2> /dev/null.

Can someone please enlighten me about this?

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