AMBER Archive (2004)Subject: AMBER: question about image
From: Youyi Peng (pengyo_at_UMDNJ.EDU)
Date: Fri Apr 02 2004 - 16:41:36 CST
Dear Amber users,
I have a general question about imaging. After MD simulation in PBC, what
kind of problems will be generated if no ptraj/image post-processing? What
difference will be made before and after imaging? I compared RMSD of
trajectory files before and after, and it looks no difference. Does imaging
affect the fitting and averaging of structures? I don't really understand
what imaging does and what kind of effects it will have.
Any comments are appreciated.
Youyi Peng
Graduate Student
Department of Pharmacology
UMDNJ-RWJMS
675 Hoes Lane,
Piscataway, NJ 08854
Phone: (732) 235 0181
Fax: (732) 235 3474
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