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In version 4.0 g_energy -aver prints the sum up till time t.<br>You then have to subtract the value at the previous step and divide<br>by the number of steps between frames.<br><br>You can also download 4.5-beta, there g_energy -aver will<br>directly print the averages over the last -nstenergy steps,<br>also of edr files generated with 4.0.<br><br>Berk<br><br>> From: vvchaban@gmail.com<br>> Date: Fri, 13 Aug 2010 18:35:34 +0300<br>> To: gmx3@hotmail.com; gmx-users@gromacs.org<br>> CC: <br>> Subject: [gmx-users] RE: ener.edr<br>> <br>> Berk, if I need the average values between 0...N, N...2N, etc - what<br>> is the convenient way to get them automatically (in energy.xvg)?<br>> <br>> Thank you,<br>> Vitaly<br>> <br>> <br>> >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>> 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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