[gmx-users] spurious dihedral warnings
Moore, Jonathan (J)
JMoore2 at dow.com
Fri Feb 3 14:42:26 CET 2006
OK, that makes sense and also explains the error I was getting...there is a comment at the end of the gd_17 definition in the ffG45a4bon.itp file that I'm using. Thanks for the explanation.
> The problem is with Amber (and maybe other force-fields)
> which has lines like:
> #define nucleic_imp_10 180.00 4.18400 2 ; missing NA
> impropers due to defined propers
> Moving the comment to the next line would solve the problem.
Jonathan Moore, Ph.D.
Research and Engineering Sciences - New Products
The Dow Chemical Company
1702 Building, Office 4E
Midland, MI 48674 USA
Phone: (989) 636-9765
Fax: (989) 636-4019
E Mail: jmoore2 at dow.com
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