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

[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, <Stephane.ABEL at cea.fr> 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
>
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