[gmx-users] Probelm of g_rms

nikhil damle pdnikhil at yahoo.co.in
Wed Sep 23 07:15:31 CEST 2009

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 ?


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