Sounds worrying :-( Thanks for the detailed report and
trouble-shooting! So far, I can't think of a reason for it.
A couple of suggestions:
* try again with 4.6.3 (at least while trouble-shooting) in case its a fixed bug
* post a representative .mdp file
* is there anything out of the ordinary in
Hi Mark,
Thanks for the quick response,
On 09/09/13 15:45, Mark Abraham wrote:
Sounds worrying :-( Thanks for the detailed report and
trouble-shooting! So far, I can't think of a reason for it.
A couple of suggestions:
* try again with 4.6.3 (at least while trouble-shooting) in case its a
No obvious problems. Please open an issue at redmine.gromacs.org when you
have something reproducible, but don't hurry, nobody's likely to have time
to check it out for a week or two.
Cheers,
Mark
On Sep 9, 2013 5:11 PM, Richard Broadbent
richard.broadben...@imperial.ac.uk wrote:
Hi Mark,
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