AMBER Archive (2009)

Subject: AMBER: bug of the mm_pbsa module in ambertools 1.2

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Mon Jan 05 2009 - 09:28:02 CST

Dear Amber developers,

Here I report a bug I have found in the the mm_pbsa module in ambertools 1.2.
Some atoms may have their names changed when generating the pdb file for delphi. For example, H3 may be renamed to H2.
     
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry of MOE
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2009-01-05

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