[gmx-users] Preprocessor statements

grita cemilyigit at arcor.de
Thu Sep 26 16:20:28 CEST 2013

Hi guys,

Is it possible to specify in the topol.top file preprocessor statements, so
that you can stop the simulation prematurely?

I pull two molecules together and I'd like to stop the simulation if the
center of mass distance of the molecules is less than xx nm.


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