AMBER Archive (2004)

Subject: Re: Re: AMBER: NB pairs exceeds?

From: csong_at_mail.sdu.edu.cn
Date: Sat Jul 17 2004 - 05:10:23 CDT

>From: "David A. Case" <case_at_scripps.edu>
>Reply-To: amber_at_scripps.edu
>To: amber_at_scripps.edu
>Subject: Re: Re: AMBER: NB pairs exceeds?
>
>On Fri, Jul 16, 2004, Chen wrote:
>
> > But I think maybe there is something wrong with
> > Leap,becaue after I solvate the DNA fragment,the density of the system is
> > about 2.0g/cc when the buffer is 8.0;but it is about 1.0g/cc when the buffer
> > is 5.0.
> > Further more,the pdb file of the solvated system looks very strange--only
> > part of the fragment is solvated!
>
> What machine, operating system, and compiler are you using for the LEaP step?

    Intel PC, Redhat linux 9,and PGI compiler.Thank you.

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

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