What's your dssp version? The most recent ones have different flags that are not yet supported by gromacs.
Erik 27 mar 2012 kl. 11.50 skrev Albert: > hello: > I am trying to run do_dssp by command: > > do_dssp -s md.tpr -f md.trr -b 400 -e 500 -o fws_ss.xpm > > but it said: > > Select a group: 1 > Selected 1: 'Protein' > There are 35 residues in your selected group > trn version: GMX_trn_file (single precision) > Reading frame 400 time 400.000 > Back Off! I just backed up ddbXn2WY to ./#ddbXn2WY.1# > > ------------------------------------------------------- > Program do_dssp, VERSION 4.5.5 > Source code file: do_dssp.c, line: 572 > > Fatal error: > Failed to execute command: /usr/local/bin/dssp -na ddbXn2WY ddeWknkk > > /dev/null 2> /dev/null > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > "It's just the way this stuff is done" (Built to Spill) > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 [email protected] http://www2.icm.uu.se/molbio/elflab/index.html
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