[gmx-users] Segmentation fault in some windows of umbrella sampling

gozde ergin gozdeeergin at gmail.com
Fri Oct 23 17:39:19 CEST 2015

Dear users,

I am doing umbrella sampling and using gromacs 4.6.
I followed the Justin tutorial and generated 200 configurations on reaction
I faced segmentation fault error for 34 configurations (windows) but 166 of
them run without any error.
I thought maybe systems were not equilibrated enough so I run energy
minimization step by using double precision, lower energy step and maximum
force however I still get the same error.

Do you have any idea about the reason?

Any help will be appreciated.

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