[gmx-users] Probelm of g_rms
Mark.Abraham at anu.edu.au
Wed Sep 23 09:49:54 CEST 2009
nikhil damle wrote:
> 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 ?
Well if you read their help pages, one of them is doing a fit
automatically and one is not.
If you wanted more help than that, you needed to have supplied your
command lines :-)
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