Dear Prof. Case and all£¡
I am using amber7.0 and want to do mmpbsa for some ligand with F, Cl, Br, and I atoms?
when I do MMPBSA, it reports that there are no radius for F, Br, and I
I find the bondi radius for those atoms. but I do not know how to add those date to paramter file.
I have post this problem several times and search all the mailing-list and can't get a clear solution.
Would you like to give me a clear solution?
Best regard!
Yong Xu
yxu.mail.sioc.ac.cn
2005-10-29
===========================================================
* Yong Xu
* State Key Lab of Bioorganic & Natural Product Chemistry
* Shanghai Institute of Organic Chemistry
* Chinese Academy of Sciences
* 354 Feng Lin Road, Xu Hui District
* Shanghai, 200032, China
* Email: yxu.mail.sioc.ac.cn
* xuyongch.yahoo.com
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Received on Sat Oct 29 2005 - 15:53:00 PDT
