RE: [gmx-users] Free energy for charged molecules with PME

2008-02-22 Thread Berk Hess
> Date: Thu, 21 Feb 2008 16:32:45 -0700 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: [gmx-users] Free energy for charged molecules with PME > > dear gmx users > > Any rigorous approach available currently to solve t

[gmx-users] Free energy for charged molecules with PME

2008-02-21 Thread Anirban Mudi
dear gmx users Any rigorous approach available currently to solve the problems mentioned in the link below ? http://www.mail-archive.com/gmx-users@gromacs.org/msg03792.html Is gromacs 4.0 going to have a way to deal with them ? Sorry to bother if a solution has been posted already and I have mi