[gmx-users] Re: PME, LIE and charged systems

[David]

On Thu, 2005-03-17 at 16:54 +0000, John Simms wrote:
> Hi David/All,
> This is probably naive and i am sorry for going on about it. Can i adjust the colomb parameters from PME to cutoffs in the .mdp file, re-do a .tpr file and use the re-run option of mdrun to obtain the charge interactions between the different groups? 
In principle yes. You can also do it with PME, however, search the list.


> Cheers
> John 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++