Mark Abraham wrote: > Jochen Hub wrote: >> hhhh huan wrote: >>> Dear all, >>> >>> I am wondering that is it the correct label of y axis in the density >>> graph which i obtained using g_energy? because it is not a density >>> unit but is labeled as kJ/mol >> >> Dear huan, >> >> 1) >> I would encourage you to read a few reviews on MD and the gromacs manual >> carfully. >> >> 2) >> g_energy doesn't write densities, but box vectors which you can use to >> compute your density. > > mdrun calculates densities for simulations with non-constant volume, and > g_energy will show and plot these.
Ah, right, I didn't know that (yet :) )! Thanks! Jochen > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 > > . > -- ************************************************ Dr. Jochen Hub Max Planck Institute for Biophysical Chemistry Computational biomolecular dynamics group Am Fassberg 11 D-37077 Goettingen, Germany Email: jhub[at]gwdg.de Tel.: +49 (0)551 201-2312 ************************************************ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
