[gmx-users] Long range electrostatic potential

[van Bemmelen]

As far as I know it can't be done for individual groups. My best guess
is that it has something to do with the 'M' in 'PME'. :-)

Greetings,
Jeroen


>Date: Wed, 17 Oct 2007 12:24:58 +0100
>From: "Georgios Patargias" <G.N.Patargias at leeds.ac.uk>
>Subject: [gmx-users] Long range electrostatic potential
>To: <gmx-users at gromacs.org>
>Message-ID:
>	<468DD857FE1E044DAE50E1D62FB57E70155D8D at HERMES4.ds.leeds.ac.uk>
>Content-Type: text/plain;	charset="iso-8859-1"
>
>Apologies if this is obvious. How can the LR electrostatic 
>term of the PME potential be extracted?  
>
>The list of terms contained in the .edr file doesn't seem to 
>include this term for individual groups but rather for the whole syste,
>
>Thanks
>George