Re: [gmx-users] About the "g_contacts" program for gromacs

2018-06-16 Thread Pedro Deira
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

Re: [gmx-users] About the "g_contacts" program for gromacs

2018-06-16 Thread Shreyas Kaptan
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

[gmx-users] About the "g_contacts" program for gromacs

2018-06-14 Thread ABEL Stephane
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