Re: [gmx-users] About the "g_contacts" program for gromacs
I never managed to get it working with 5.x, I have a separate 4.x installation to run g_contacts. p. On Thu, 14 Jun 2018, 16:53 ABEL Stephane, wrote: > Hi there, > > Do you know where I can find the program g_contacts developed by Christian > Blau & Helmut Grubmuller and described in the following paper "g_contacts: > Fast contact search in bio-molecular ensemble data. Computer Physics > Communications > Volume 184, Issue 12, December 2013, Pages 2856-2859" > https://www.sciencedirect.com/science/article/pii/S0010465513002464. I > would like to test it. In addition, does this tool work with the 5.1.X or > newer versions of gromacs. (It was initially developed for gromacs 4.6) . > > Thanks > > A bientôt > > Stéphane > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] About the "g_contacts" program for gromacs
In the paper it mentions that: This paper and its associated computer program are available via the Computer Physics Communication homepage on ScienceDirect ( http://www.sciencedirect.com/science/journal/00104655). Hope that helps. On Thu, Jun 14, 2018 at 5:53 PM ABEL Stephane wrote: > Hi there, > > Do you know where I can find the program g_contacts developed by Christian > Blau & Helmut Grubmuller and described in the following paper "g_contacts: > Fast contact search in bio-molecular ensemble data. Computer Physics > Communications > Volume 184, Issue 12, December 2013, Pages 2856-2859" > https://www.sciencedirect.com/science/article/pii/S0010465513002464. I > would like to test it. In addition, does this tool work with the 5.1.X or > newer versions of gromacs. (It was initially developed for gromacs 4.6) . > > Thanks > > A bientôt > > Stéphane > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Shreyas Sanjay Kaptan -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] About the "g_contacts" program for gromacs
Hi there, Do you know where I can find the program g_contacts developed by Christian Blau & Helmut Grubmuller and described in the following paper "g_contacts: Fast contact search in bio-molecular ensemble data. Computer Physics Communications Volume 184, Issue 12, December 2013, Pages 2856-2859" https://www.sciencedirect.com/science/article/pii/S0010465513002464. I would like to test it. In addition, does this tool work with the 5.1.X or newer versions of gromacs. (It was initially developed for gromacs 4.6) . Thanks A bientôt Stéphane -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
