Hi Amber
I am trying to obtain an rms from separate regions of my protein. That
is I want to leave out a center fragment of the protein for my analysis.
I have tried the following and derivations of the following, but have
been unsuccessful.
Trajin file.mdcrd
Reference fileref.pdb
Rms reference out file.txt time 5 :1-200.C,N,O :300-400.C,N,O
Go
Notice I am trying to get rms leaving the peptide sequence of 201-299.
Is this possible with ptraj?
Steve
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 09 2008 - 06:07:16 PDT
