Am Mittwoch, 20. Juni 2007 schrieb Mark Abraham:
> As you'd see by reading sections 4.9 and 7.3.9 of the manual, Martin's
> statement isn't right. The grid dimensions are controlled by the two
> parameters he mentioned, but there are plenty of other parameters that
> influence PME.
Oh, I didn't checked 4.9. Then of course rlist makes sense too for coulomb
interactions with PME.
> Set it specifically, so that you don't have to remember what the default
> is in a year's time.
... and look in your own mdp file before making statements :-)
Best
Martin
_______________________________________________
gmx-users mailing list gmx-users@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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
