[gmx-users] No default Proper [Bond, Angle, Dihedral]

Arturas a3arzi at vaidila.vdu.lt
Mon Jan 19 10:10:01 CET 2004


Yes - i use *.top and *.gro and no warning have deteced before...
About wrong atom type I have thought once before. Guess I could solve
via prodrg as mentioned David.

Thanks a lot


AF> There actually is a building block for flavin, in the (old) Gromacs FF's
AF> as well as in the (new) Gromos ff's (43a1 etc.). I've used it and it works.
AF> Most likely you have mismatches in atom names and/or ordering of atoms,
AF> but normally that would have been detected and reported by pdb2gmx. Are you
AF> useing the output .top as well as the ooutput .gro file from pdb2gmx to give
AF> to grompp?


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