Gromacs' 4.5.5 do_dssp is broken. There is a patch for it in git. I haven't tried it out, so I can't say for sure it works. This is not a DSSP problem, it's a Gromacs problem. Just to reinforce the idea, the new DSSP should not be used, no matter which Gromacs version you're using.
Best regards, Joao Henriques On Fri, Mar 2, 2012 at 9:10 AM, lina <[email protected]> wrote: > On Fri, Mar 2, 2012 at 3:55 PM, Mark Abraham <[email protected]> > wrote: > > On 2/03/2012 6:52 PM, lina wrote: > >> > >> Hi, > >> > >> is the old dssp not compatible with the gromacs 4.5.5 ? > >> > >> I am confused, > >> > >> Thanks, > >> > >> Best regards, > > > > > > The new DSSP is not compatible with any GROMACS > > Ha ... the dssp complain the segmentation fault in 4.5.5, but can run > smoothly in 4.5.3. > > IIRC, seems there were some threads talked about that before. > > > > > Mark > > -- > > 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 > -- > 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 > -- João Henriques
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