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

Groenhof, Gerrit ggroenh at gwdg.de
Thu Jun 30 12:54:53 CEST 2016

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?

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?


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?

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