On Fri, Oct 08, 2004, Scott E. Boesch wrote:
>
> There are inconsistent data for the torsion N-C-CT-H0 of Glycine in AMBER
> 2003 force field. In the paper (Duna et al. Vol 24, No. 16 Journal of
> Computational Chemistry), parameters are: 0.5607/180 and 0.0110/0. In the
> AMBER force field package, parameters are : 1.0607/180 and 0.0110/0. I am
> wondering whether 0.5607 or 1.0607 is correct. Many thanks.
>
The value in the Amber package is correct; see:
http://amber.ch.ic.ac.uk/archive/200408/0334.html
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Oct 08 2004 - 18:53:01 PDT
