AMBER Archive (2005)

Subject: Re: AMBER: Is the MD simulation normal

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Tue May 31 2005 - 21:01:07 CDT


Dear Bill

Could you please tell me why picking prime number is important? Thanks!

Best Regards!

Liu

On Tue, 31 May 2005 00:49:32 +0800, Bill Ross <ross_at_cgl.ucsf.edu> wrote:

>> I will choose two ig value, one( such as 500) is lower than the
>> default value(71277), and one is much larger , such as 200,000. The
>> tempi = 300K. Are the two ig value ok?
>
> The size of ig shouldn't matter. It is probably more important
> to pick prime numbers.
>
> Bill
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-- 
JunJun Liu

College of Chemistry Central China Normal University WuHan 430079 P.R. China ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu