[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
Core R&D
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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