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To be more precise, it writes both the current values and the sum over the steps<br>to let g_energy print exact averages.<br><br>Berk<br><br>> Date: Fri, 13 Aug 2010 11:08:24 -0400<br>> From: chris.neale@utoronto.ca<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] ener.edr<br>> <br>> The .edr file contains the instantaneous energies at every nstenergy steps.<br>> <br>> -- original message --<br>> <br>> Hello,<br>> <br>> Does gromacs write the current values (at some requested step) to<br>> ENER.EDR or the averaged ones (at the requested interval)?<br>> <br>> <br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br> </body>
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