Re: [gmx-users] Preprocessor statements

2013-09-26 Thread 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 wrote: > Unlikely possible... But yeah, the feature might be handy. > > > Dr. Vitaly V. Chaban > > > On Thu, Sep 26, 2013 at 4:20 PM, grita wrote

Re: [gmx-users] Preprocessor statements

2013-09-26 Thread 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 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 toge