AMBER Archive (2004)

Subject: AMBER: calculate ligand's rmsd

From: Yong Xu (yxu_at_mail.sioc.ac.cn)
Date: Thu Dec 09 2004 - 00:11:15 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 ?

thanks in advance

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

******************************************************************
* 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 *
*******************************

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