Hi Ying,
If you add:
center :1-22
to your list of ptraj input commands (assuming that 1-22 represent
the residues of your molecule), you should see that RMS problem disappear.
Rhonda
,
Rhonda A. Torres
The Scripps Research Institute
Department of Molecular Biology
10550 N. Torrey Pines Rd. TPC 15
La Jolla, CA 92037
email: torres.scripps.edu
phone: (858) 784-9781
fax: (858) 784-8896
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Received on Tue Nov 25 2003 - 18:53:01 PST
