AMBER: calculate ligand's rmsd

From: Yong Xu <yxu.mail.sioc.ac.cn>
Date: Thu, 9 Dec 2004 14:11:15 +0800 (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.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.mail.sioc.ac.cn *
*******************************


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Received on Thu Dec 09 2004 - 05:53:00 PST
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