AMBER: about gaff.dat in ambeTools 1.0

From: Alan <alanwilter.gmail.com>
Date: Wed, 18 Jun 2008 15:44:02 +0100

Dears,
Is there any special reason why this:

diff amber10/dat/leap/parm/gaff.dat antechamber-1.27/dat/leap/parm/gaff.dat
16a17
> cz 12.01 0.360 Sp2 carbon in guadinium
5030a5032
> X -X -cz-X 10.5 180. 2. Just for
guadinium, Junmei 2006
5109a5112
> cz 1.9080 0.0860 OPLS

I.e., why references to 'cz' disappeared for gaff.dat in amberTools 1.0 once
they was there for AC 1.27?

Cheers,
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<<
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu
Received on Sun Jun 22 2008 - 06:07:12 PDT
Custom Search