[gmx-users] gromacs.org_gmx-users Digest, Vol 170, Issue 57

[ABEL Stephane]

Thank you Shreyas, Pedro and Mark Abraham for forwarding my initial message to the program's author who responded to me

Stéphane  

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Message: 3
Date: Sat, 16 Jun 2018 19:45:28 +0200
From: Shreyas Kaptan <shreyaskaptan at gmail.com>
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] About the "g_contacts" program for gromacs
Message-ID:
        <CAEySTLC3zQSQ3vf6wdg6pdTaCbC6WMheyOAMOLhap=hA=MKF2A at mail.gmail.com>
Content-Type: text/plain; charset="UTF-8"

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 <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 bient?t
>
> St?phane
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at
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>


--
Shreyas Sanjay Kaptan


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Message: 4
Date: Sat, 16 Jun 2018 19:04:39 +0100
From: Pedro Deira <pedro.deira at gmail.com>
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] About the "g_contacts" program for gromacs
Message-ID:
        <CAFjz-iaySRUjLtYBzDPhrR-qDroSC_SNnysTa4jFuzyi93cKPw at mail.gmail.com>
Content-Type: text/plain; charset="UTF-8"

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 bient?t
>
> St?phane
>
> --
> 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-request at gromacs.org.
>


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End of gromacs.org_gmx-users Digest, Vol 170, Issue 57
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