Tinker: atom type format for OPLSAA or AMBER



 Hi CCL
 I am working with the TINKER package (ver. 3.9), because I am
 interested in the analytical Gradient and the 'not diagonalized'
 Hessian for different kinds of molecular systems. TINKER has
 the advantage that you can use several FF.
 Because of no Graphical interface, where you can draw your
 molecules I am using Macromodel ver. 7.0 (which is not capable
 of calculate the 'not diagonalized' Hessian).
 My problem is when converting from Macromodel format (.dat or PDB)
 to TINKER (.xyz) with Babel or pdbxyz.x I received atomtypes
 for the molecule saying 0 (with PDBXYZ.x) or the atomtype belonging
 to MM3. What about a program which is capable of converting into
 OPLSAA, AMBER etc. ????
 I think of a program of my own, which is capable of reading:
 1. The atom type (C,H,N.....)
 2. The connectivity
 3. If the atom belongs to a substructure (i.e. DNA-part)
 and convert the atom type into the approriate atom number for
 a chosen FF in TINKER.
 I would appreciate if anyone have written or know to the existence
 of such program, because manually converting of 500 atoms molecules
 takes for ever (or just really long time)
 regards
 Per Tetzschner
 University of Southern Denmark
 tetz.,at,.thor.chem.sdu.dk
 +45-65502570