AMBER Archive (2005)

Subject: AMBER: least square fit of snapshots in md trajectory to a reference frame

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Thu Jun 30 2005 - 21:56:08 CDT

Dear amber users£¬

Can anyone tell me how to superimpose snapshots in md trajectory to a reference frame with least-square fit method? Is there any software that can help to do this?
¡¡¡¡¡¡¡¡¡¡¡¡
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2005-07-01

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