Re: [gmx-users] Dihedral definition

2009-05-20 Thread David van der Spoel
ANINDITA GAYEN wrote: Dear all, i have a simple question regarding definition of proper & improper dihedral type in gromacs. As in ffgmxbon.itp please upgrade your force field. For most force fields there is a proper description but there is not for this one. Therefore we

[gmx-users] Dihedral definition

2009-05-20 Thread ANINDITA GAYEN
Dear all, i have a simple question regarding definition of proper & improper dihedral type in gromacs. As in ffgmxbon.itp. [ dihedraltypes ]   ; j    k func  phi0  cp   mult     C   OA    1   180.000  16.736