AMBER Archive (2004)

Subject: AMBER: RMSD of ligand

From: Yong Xu (yxu_at_mail.sioc.ac.cn)
Date: Thu Dec 23 2004 - 18:26:14 CST

Dear Amber-users

how to calculate ligand's rmsd by fitting all protein atoms (or CA atoms) ?
how to set carnal_rms.in, and then I can use carnal <carnal_rms.in ?
anyone can provide this input file?

thanks in advance

　　　　　　　　Yong Xu
　　　　　　　　yxu_at_mail.sioc.ac.cn
　　　　　　　　　　2004-12-09

===========================================================
* Yong Xu
* State Key Lab of Bioorganic & Natural Product Chemistry
* Shanghai Institute of Organic Chemistry
* Chinese Academy of Science
           
* 354 Feng Lin Road, Xu Hui District
* Shanghai, 200032, China
        
* Email: yxu_at_mail.sioc.ac.cn
* yxuemail_at_sina.com
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