[gmx-users] weird configuration when pulling rate is small
m21.tang at qut.edu.au
Mon Feb 1 09:46:38 CET 2016
I tried, and got the same configuration. Initially, I add -nojump when using g_traj.
I am not sure whether it has something to do with the pulling method (umbrella distance). In reference, researchers use SMD (fix the COM of one group, and stretch the COM of the other group). But I did not find a solution to achieve. So I stretched the COM of both ends using umbrella distance.
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