Also, is anybody aware of what the following option of g_energy performs: -[no]aver bool yes Print also the X1,t and sigma1,t, only if only 1 energy is requested
If I compare the results of 'g_energy' and 'g_energy -aver', the numbers are the same. Does it mean that g_energy print the averaged values (between nstenergy steps) by default? Vitaly On Fri, Aug 13, 2010 at 6:35 PM, Vitaly Chaban <vvcha...@gmail.com> wrote: > 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
