AMBER Archive (2008)

Subject: AMBER: antechamber and charmm

From: Alan (alanwilter_at_gmail.com)
Date: Thu Jul 10 2008 - 04:43:58 CDT

Hi List,

I used antechamber to generate topologies for charmm. Looking at *.prm
I found weird this:

c3 ca ca ca 1.100 0 180.0

while from gaff.dat, it is:

ca-ca-ca-c3 1.1 180. 2.

Basically period 2 from gaff is getting 0 in charmm file. It happend
to all my impropers. Any special 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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