[gmx-users] g_energy statistical information

Juliette N. joojoojooon at gmail.com
Sat May 14 00:47:19 CEST 2011


I have a quick question about g_energy output. Can anyone descrive how the
statistical info below are calculated?

In literature I see for instance electrostatics is reported as: XXX + / -
Y. Where Y is deviation or something like that. Which of the RMSD or
Tot-Drift is giving Y ?


Energy                      Average   Err.Est.       RMSD  Tot-Drift

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110513/93b81dcb/attachment.html>

More information about the gromacs.org_gmx-users mailing list