Dear All,
I want to calculate RMSD for all protein heavy atoms (back bone and sidechain, without H) within 8.0 A of my ligang (resid 799) molecule. Also there are waters and ions (Na+) in my system which needs to excluded for this calculations. The following rms comand doesn't work:
rms first out output.rms :799<.8.0&!.H=&!.Na+&!:WAT time 10
Can you please tell me how it might work?
Rahul
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Received on Wed Sep 08 2010 - 19:30:04 PDT
