Everything beyond dssp 2.0 uses a new syntax, which is not (yet) supported in
gromacs. The new way of invoking dssp is described on the dssp webpage.
Although undocumented, version 2.0 still accepts the old syntax, but NOT the
-na flag, which is set by do_dssp unless you ask for syrface area cal
I've tried: 2, 2.1.3, 2.1.4, the problem is still there. I don't think
the do_dssp is so difficult. just one command:
do_dssp -s md.tpr -f md.trr -b 100 -e 200 -f ss.xpm
On 03/30/2012 03:05 PM, Erik Marklund wrote:
And what versions were those?
30 mar 2012 kl. 15.06 skrev Albert:
I've tr
I've tried different kind of DSSP version, but the problem is the same
On 03/30/2012 02:54 PM, gmx-users-requ...@gromacs.org wrote:
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