On Sat, Aug 14, 2010, InSuk Joung wrote:
> I have two different energies from mme and mme2 routines of NAB.
Can you provide an example, so that we can try to track this down?
> It looks like mme2 takes more than 5 arguments
> which are more than the arguments described in AmberTools manual.
You are correct: I have updated the Users's manual to change the phrase
"users will generally not call mme2() directly" to "users cannot call
mme2() directly", and have removed the (old) entry that said there were
5 arguments to mme2().
...thx...dac
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Received on Sat Aug 14 2010 - 20:30:03 PDT
