That's ok. Thank you for your help. In the meantime, I might see if g_h2order is a good substitute for g_hydorder.
Kind Regards, Alaina ________________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: 01 May 2013 22:58 To: Discussion list for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 5/1/13 8:44 AM, Emmanuel, Alaina wrote: > > No, using a trajectory file with g_hydorder hasn't made any difference. The > error is still the same. > > When I use g_polystat, I use the following command: > > g_polystat_d -f file.xtc -s file.tpr -n polymer_backbone.ndx -p persist.xvg > -o polystat.xvg > > Note: Using "polymer_backbone.ndx" yields fewer polymers with nan issues, > than using the whole polymer structure in an index file. > The g_hydorder problem is a bug in the code and I have filed a bug report on Redmine. I have no insight into what's going on with g_polystat, sorry. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list gmx-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 posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-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 posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists