On 09/29/2014 07:17 PM, Carsten Kutzner wrote:
On 29 Sep 2014, at 19:10, Åke Sandgren <ake.sandg...@hpc2n.umu.se> wrote:
Hi!
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: a...@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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