[gmx-developers] is gmx membed working in release-2016?

Mark Abraham mark.j.abraham at gmail.com
Thu Jun 30 15:21:42 CEST 2016


Hi,

Actually I made one already - https://redmine.gromacs.org/issues/1998

Mark

On Thu, Jun 30, 2016 at 1:09 PM Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Thanks very much - a redmine would be great!
>
> Mark
>
> On Thu, Jun 30, 2016 at 12:55 PM Groenhof, Gerrit <ggroenh at gwdg.de> wrote:
>
>> INdeed. my example worked for 5.1, but fails in 20016-beta.... I tried
>> PME and cut-off, but both fail in nb searching, suggesting that system is
>> exploding.
>>
>> Note that because energy exclusions are needed,  Verlet scheme is not
>> working, and I used group instead.
>>
>> Shall I upload to red mine, or send input (small system) via email?
>> best,
>> Gerrit
>>
>> ------------------------------
>> *From:* gromacs.org_gmx-developers-bounces at maillist.sys.kth.se [
>> gromacs.org_gmx-developers-bounces at maillist.sys.kth.se] on behalf of
>> Mark Abraham [mark.j.abraham at gmail.com]
>> *Sent:* Thursday, June 30, 2016 1:24 PM
>> *To:* Discussion list for GROMACS development
>> *Subject:* [gmx-developers] is gmx membed working in release-2016?
>>
>> Hi,
>>
>> I heard a rumour that gmx membed is broken in release-2016 branch, but
>> I've never used it. Does anybody have (know of anyone with) a setup that
>> used to work?
>>
>> Mark
>> --
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