To be more precise, it writes both the current values and the sum over the steps to let g_energy print exact averages.
Berk > Date: Fri, 13 Aug 2010 11:08:24 -0400 > From: [email protected] > To: [email protected] > Subject: [gmx-users] ener.edr > > The .edr file contains the instantaneous energies at every nstenergy steps. > > -- original message -- > > Hello, > > Does gromacs write the current values (at some requested step) to > ENER.EDR or the averaged ones (at the requested interval)? > > > -- > gmx-users mailing list [email protected] > http://lists.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
-- gmx-users mailing list [email protected] http://lists.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
