Hi all,
I need to analyse an old trajectory generated with Amber6. I use mm_pbsa
and when the script calls the anal module, it stops with the error message:
DIHEDRAL ANGLE ERROR: 9686 15444 15447 15507 15510
32 0 0.0000 0.0000
I found the same problem in the archive of the amber mail reflector but
no solution to resolve it:
http://amber.ch.ic.ac.uk/archive/200402/0015.html
From this message, I conclude that it exists a problem on the dihedral
n°9686 formed by atoms 5149-5150-5170-5171.
What does the dihedral code "32" mean?
My system (>50000) could be too big for anal?
I don't find any bugfix which could correct it for Amber6. Does anyone
know a solution to resolve this problem?
Thanks in advance.
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Received on Mon Nov 21 2005 - 17:53:00 PST
