[gmx-developers] Segfault during EM in recent git version
r.friedman at bioc.uzh.ch
Mon Oct 5 17:13:29 CEST 2009
Jochen Hub wrote:
> Hi Berk,
> yes, I have always reconfigured with distclean and everything. And
> checked that no CC variables or similar were messing up something. I
> could well imagine that the problem is again due to virtual sites
> which I have in my structure.
This seems to be the case for me as well - virtual sites give segfault
But the weird EM results with an N-H hydrogen approaching COO oxygen are
without virtual sites.
I'm sorry that I can't be more constructive at the moment.
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