AMBER: atmtypenumbers

From: Yong Xu <>
Date: Tue, 25 Oct 2005 11:25:0 +0800

Dear Prof. Gohlke
I use amber7.0 now
I want to use MMPBSA module to calculate some ligand with F, Cl, Br, and I
For SA calculation, what and where should be added in atmtypenumbers

For PB calculation what and where should be added in my_parse_delphi.siz

in I set
MM 1
GB 0
PB 1
MS 1

would you like to give me a detail modification for those file?

thanks in advance

Best regard!

Yong Xu

* 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:

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Received on Tue Oct 25 2005 - 04:53:00 PDT
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