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
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
--
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
|