[gmx-users] ffG45a3 force field rtp file

David van der Spoel spoel at xray.bmc.uu.se
Wed Jan 25 09:56:01 CET 2006

On Tue, 24 Jan 2006, Dongsheng Zhang wrote:

>Hello, everyone,
>Recently, I am using ffG45a3 force field. It seems that there is one
>angle missed for residue ACE in the rtp file. That is the angle between
>CA C O . David, could you please add residue NAC in the rtp file in the
>next version? It suprises me that NAC is included in ffG45a3.hdb, but
>not in ffG45a3.rtp.

please send me the corrected entries and I will put them in.

>Best wishes to everyone!
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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