AMBER Archive (2005)

Subject: AMBER: molsurf error in MM/PBSA calculation

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Tue Jul 12 2005 - 08:43:55 CDT

Dear all:

I got the following error when doing MM/PBSA calculation
===
odd number of probe positions on torus!
===
This happens in the step of molsurf calculation. I checked the mslog file.
It only recorded the atom number and did not obtain any surface area.
Could anyone of you please tell me why this happens and how to resolve it?
Thanks in advance!

Liu 

-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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