Thank you for your reply.
It is clear that "kdiv" is not zero when only 3rd atom index is negative.
2 - 1 + 1 = 2, so (2 - 1 + 1) / 4 = 2/4 = 1/2, not zero.
I think there should be some other way to make the variable "fmuln" to become zero.
<-----Original Message----->
> From: "David A. Case" <case.scripps.edu>
> To: amber.scripps.edu
> Cc:
> Sent: 2006-10-21 06:50
> Subject: Re: Re: AMBER: Question about sander code
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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
------------------------------------------------------------------------
새로운 기부 문화의 씨앗, 해피빈
http://happybean.naver.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 22 2006 - 06:07:30 PDT
