[gmx-users] PRODRG

Peter Zoon zoon at science.uva.nl
Wed May 19 15:40:38 CEST 2004

>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considered rather outdated even by the Gromacs crew themselves.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?


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