[gmx-users] Preprocessor statements
Dr. Vitaly Chaban
vvchaban at gmail.com
Thu Sep 26 16:49:17 CEST 2013
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.
> View this message in context: http://gromacs.5086.x6.nabble.com/Preprocessor-statements-tp5011469.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users