On Fri, Oct 08, 2010, Ben Roberts wrote:
> On 19/9/2010, at 5:52 p.m., case wrote:
>
> > AMOEBA in pmemd.amba should be compatible with other force fields, i.e. should
> > use bars like everything else.
I was responding to an earlier email, where (I thought) it was reported that
there was a difference between amoeba and "regular" amber force fields with
regard to pressure calculation. Check the archives to find out more.
....dac
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Received on Fri Oct 08 2010 - 11:30:05 PDT