[gmx-users] dump current rlist in cpt

Johnny Lu johnny.lu128 at gmail.com
Fri Nov 21 05:25:52 CET 2014


Hi.

is it possible to check current rlist, and vdw cut-off in a cpt file.

I want to know if the big energy jump upon extending/continuing/restarting
simulation with gromacs 4.6.7 is caused by the load balancing bug (
http://redmine.gromacs.org/issues/1603)

Thank you.


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