On Sat, Jan 30, 2010, s. Bill wrote:
> I want to imply new PM3 parameters set for a particular ion
> in QM/MM simulation of my protein.I modified qm2_parameters.h file, is
> that right?Should I recompile sander?
Sounds like the right thing, but you certainly need to recompile for your
changes to have any effect.
...dac
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Received on Fri Jan 29 2010 - 19:30:02 PST
