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considered rather outdated even by the Gromacs crew themselves.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
Or am I making a reasoning error here?
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