Dear Amber ,
I have looked in to the archive , for calculating rmsd of the trajectory with respect to the first frame
but ,
I would like to calculate the rmsd of the trajectory which i have generated in the
simulation , with respect to the model which i built ,
I have minimised and equillibriated my model and now i have the
model.rst file and the trajectory file traj.mdcrd
is it possible to calculate the rmsd of each frame of the trajectory , with this
model file (model.rst ) .
I f so how one should give the ptraj input file
thank you
regards
balaji
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Received on Thu Jul 09 2009 - 01:08:56 PDT
