Dear, all
I want to do some MMPBSA work on a series of small molecules composed of F, Cl, Br, or I atoms.
but there are no parameter for those elements.
where can I find those parameter?
and furthermore, what should be added in my_amber94_delphi.crg, my_parse_delphi.siz and atmtypenumbers files?
I think this problem is a very popular problem for some amber user.
I will be very appreciated for any reply
Yong Xu
yxu.mail.sioc.ac.cn
2005-10-12
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* 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.mail.sioc.ac.cn
* xuyongch.yahoo.com
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Received on Wed Oct 12 2005 - 10:53:00 PDT
