AMBER Archive (2006)

Subject: Re: Re: AMBER: Question about sander code

From: David A. Case (case_at_scripps.edu)
Date: Fri Oct 20 2006 - 16:47:50 CDT


On Sat, Oct 21, 2006, Kijeong Kwac wrote:

> Thank you very much for the reply. But I'm still confused.
> When only 3rd atom index is negative, idumi = -1 and iduml = 1
> so that kdiv=(2+idumi+iduml)/4 = (2 -1 +1)/4 = 1/2. Thus "kdiv" is not zero.

This is integer arithmetic: (2 -1 +1)/4 = 0.

...dac

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