[gmx-users] Energy minimizations taking really, really long?

Nimmy McNimmerson nimzster at yahoo.com
Wed Oct 23 03:57:50 CEST 2013

I have some simulations of inserting a probe molecule into a bilayer. Some molecules work fine. However, a certain class of molecules is taking an absurdly long time to run the exact same simulation, even though I energy minimized the molecules individually beforehand and there are no overlaps. What might be going wrong?


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