AMBER Archive (2008)

Subject: AMBER: NPRO net charge in amber10/dat/leap/lib/all_aminont03.lib is 0.900026, why?

From: Alan (alanwilter_at_gmail.com)
Date: Sat Jul 26 2008 - 03:33:46 CDT

Following a recent discussion here in the List about leaprc.ff03.r1
and leaprc.ff03

Looking at amber10/dat/leap/lib/all_aminont03.lib I found out that
NPRO net charge is 0.900026 when it should be 1.000.

Is there any reasonable reason for that?

Many thanks in advance.
Alan 

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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