Nathalie Geneste wrote:
Dear users,
I have some problems to launch a simulation with my molecular system
including 2 strands DNA + benzo[a]pyrene adduct.
After some trials with default gromacs force fields, I downloaded
ffamber99.
I have 2 problems:
1) my benzo[a]pyrene adduct is not recognized by ffamber99. Could you
propose me a force field compatible with my system ?
None of them, probably. You are very likely to have to parameterize your
adduct. This is not trivial. See
http://wiki.gromacs.org/index.php/Exotic_Species and/or
http://wiki.gromacs.org/index.php/Parameterization
Mark
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