[gmx-users] g_tune_pme and verlet
ake.sandgren at hpc2n.umu.se
Mon Sep 29 19:46:48 CEST 2014
On 09/29/2014 07:17 PM, Carsten Kutzner wrote:
> On 29 Sep 2014, at 19:10, Åke Sandgren <ake.sandgren at hpc2n.umu.se> wrote:
>> I'm trying to run g_tune_pme on a case with verlet lists, but i get complaints from mdrun that
>> “With Verlet lists rcoulomb and rvdw should be identical”
> But does mdrun like your input file?
Yes, it only fails when rcoulomb is changed. I.e. the first sequence of
tests is ok.
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
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