[gmx-users] Probelm of g_rms

[nikhil damle]

Hi all,

     I am facing the problem while calculating backbone RMSD over 30 ns. upto ~6-7 ns g_rms gives correct RMSDs and later all RMSD values are unexpectedly and unusually high (within 20 ps RMSD value shoots up by ~8A). But when i calculate RMSD using g_confrms programme, it gives me expected and usual RMSD. I tried running g_rms separately for that particular time range which was giving me high values only to get same result once again. Is there problem with g_rms or i am calculating wrongly ?

Regards,
Nikhil



      Now, send attachments up to 25MB with Yahoo! India Mail. Learn how. http://in.overview.mail.yahoo.com/photos
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090923/8123f2c5/attachment.html>