Re: [gmx-users] dssp and gromacs version

2012-03-02 Thread João Henriques
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, J

Re: [gmx-users] dssp and gromacs version

2012-03-02 Thread lina
On Fri, Mar 2, 2012 at 3:55 PM, Mark Abraham 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

Re: [gmx-users] dssp and gromacs version

2012-03-01 Thread Mark Abraham
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 Mark -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Ple

[gmx-users] dssp and gromacs version

2012-03-01 Thread lina
Hi, is the old dssp not compatible with the gromacs 4.5.5 ? I am confused, Thanks, Best regards, -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posti