In version 4.0 g_energy -aver prints the sum up till time t. You then have to subtract the value at the previous step and divide by the number of steps between frames.
You can also download 4.5-beta, there g_energy -aver will directly print the averages over the last -nstenergy steps, also of edr files generated with 4.0. Berk > From: vvcha...@gmail.com > Date: Fri, 13 Aug 2010 18:35:34 +0300 > To: g...@hotmail.com; gmx-users@gromacs.org > CC: > Subject: [gmx-users] RE: ener.edr > > Berk, if I need the average values between 0...N, N...2N, etc - what > is the convenient way to get them automatically (in energy.xvg)? > > Thank you, > Vitaly > > > >To be more precise, it writes both the current values and >the sum over the > >steps > >to let g_energy print exact averages. > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
