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Hello,
where can I find the emperical force field paramters for the
hydroxide ion?
I am modelling an enzyme system, containing Zinc
ions with water/hydroxide ligands around in the active site. For such kind of
system, is there anyone having the experience of treating it by pure
molecular mechanic method? Is the reasult of MD in
agreement with the crystal structure?
How about using AM1/MM or PM3/MM?
Thanks a lot!
lu
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