Dear all,
I am trying to use ptraj to calculate the rmsd. Now
the problem is, I cannot find a way to use mask to
define two pieces which are not next to each other. I
have a system which has 200 residues. I want to
calculate the rmsd by fitting the alpha C of residues
:90-100 and alpha C of residues :130-150. I read the
manual but it doesn't say how to do things like this.
Thanks.
Best regards!
ken
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Received on Thu Oct 28 2004 - 22:53:01 PDT
