[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:
>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!
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the
>www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users