AMBER Archive (2003)

Subject: RE: AMBER: image question

From: Rhonda Torres (torres_at_scripps.edu)
Date: Tue Nov 25 2003 - 12:50:36 CST


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_at_scripps.edu
phone: (858) 784-9781
fax: (858) 784-8896
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