Dear Dallas and Mark Thank you both for your replies.
George -----Original Message----- From: [EMAIL PROTECTED] on behalf of Mark Abraham Sent: Wed 5/2/2007 1:42 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Electrostatic potential Georgios Patargias wrote: > Hi > > If we want to calculate the electrostatic potential of any component of a > system > do we add the Coul-14, Coul-SR values that we get with g_energy? > What does each one of these terms represent exactly? Chapter four talks about these issues :-) We don't want to spend our time writing it out when it's already there for you to read. > Another thing; Is there any way to define a subset of (e.g protein) atoms as > an energy group > so that the .edr file will contain all the energy components for this subset > too? If you read the other current threads on the mailing list you'd know how to go about this (and how not to go about this). Chapter three has the information you're looking for :-) The manual is your friend. Mark _______________________________________________ gmx-users mailing list [email protected] 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
<<winmail.dat>>
_______________________________________________ gmx-users mailing list [email protected] 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
