[gmx-users] to add counter ions based on potential

Jochen Hub jhub at gwdg.de
Fri Sep 12 15:25:38 CEST 2008


sarbani chattopadhyay wrote:
>   
> Hi everybody,
>                     I want to add counter ions based on potential and not randomly.
> I will be very grateful if anyone can guide me through the command "genion" for this.

As far as I know, that has not been implemented yet. It is a good idea,
though.

Jochen



> 
> I tried with "-random no" but it didn't work.
> 
> Thanks in advance
> Sarbani
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php


-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************



More information about the gromacs.org_gmx-users mailing list