[gmx-users] Preprocessor statements

[Mark Abraham]

No, there's no way to do that. But you can monitor the output
trajectory file yourself, live.

Mark

On Thu, Sep 26, 2013 at 4:49 PM, Dr. Vitaly Chaban <vvchaban at gmail.com> wrote:
> 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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