[gmx-users] do_dssp file format

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 10 20:44:41 CET 2008

ABEL Stephane 175950 wrote:
> I used the following command 
> ./do_dssp -s test.SecStruc.tpr with test.SecStruc.tpr is a pdb file with a part is show below. I obtained a segmentation fault. 
> Maybe it is not a the good command. Remember that my trajectories are not made/compatible with GROMACS and i have only a pdb coordinates of my MD.
don't rename the .pdb file to .tpr. Just use .pdb

David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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