[gmx-users] PRODRG

[Peter Zoon]

>The atom types aren't the problem but the manual conversion of 
>bonds/angles/dihedrals to G96 types. IMHO this may be intricate in 
>some cases. I guess it would be very nice to have a G96 topology 
>automatically generated by PRODRG, the GMX force field seems to be 
>considered rather outdated even by the Gromacs crew themselves.

That doesn't matter right?
If you do a minimization (after you changed to the right atom-types), 
the system will just equilibrate and you will reach the right 
topology automatically.

Or am I making a reasoning error here?

Peter