Re: [AMBER] Problem using graphite structure in equil MD

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 21 Oct 2010 16:31:02 -0700

> In sum up, larger structure can avoid making wrong bonds in leap.
> I guess there is threshold value to make a bond in the inside of leap.

It looks like bondbydistance 1.5 worked after all.
Excellent!

Bill

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Received on Thu Oct 21 2010 - 17:00:04 PDT
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