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From: priyodorshi satpati (psatpati_at_gmail.com)
Date: Sun Apr 12 2009 - 11:02:13 CDT
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Dear All,
I am a new user of VMD. Your suggestions related to the following query will
be of great help.
A protein is trimmed to a *28* Angstrom sphere along with harmonic
restraint applied to the outer shell (from 22 to 28 Angstom). Now I have the
NAMD traj file of this protein alongwith overlayed water sphere. From the
traj file i want to calculate the RMS deviation for the protein atoms *only
within 22 Angstrom radius*. How to modify the *rmsd.tcl* file of VMD to do
this.
thank you very much...
Regards
Priyadarshi
-- Dr. Priyadarshi Satpati Biocomputing and Structure research Group, Laboratoire de Biochimie, Ecole Polytechnique, 91128 Palaiseau, France Phone (Res) : +33/(0)1 69 33 27 66 (Off) : +33/(0)1 69 33 48 94 (Mob) : +33/(0)6 27 75 56 49
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