[gmx-users] Preprocessor statements

[Dr. Vitaly Chaban]

Unlikely possible... But yeah, the feature might be handy.


Dr. Vitaly V. Chaban


On Thu, Sep 26, 2013 at 4:20 PM, grita <cemilyigit at arcor.de> wrote:
> 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.
>
> Best,
> grita
>
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