AMBER Archive (2004)

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

From: csong_at_mail.sdu.edu.cn
Date: Sun Jul 18 2004 - 03:28:27 CDT

Oh,thank you very much!
I'll try.
>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 Sat, Jul 17, 2004, csong_at_mail.sdu.edu.cn 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.
>
> > Intel PC, Redhat linux 9,and PGI compiler.Thank you.
>
> There is something wrong with the combination of pgcc and LEaP. Please use
> gcc to compile leap. We are working on this, but don't have a solution yet.
>
> ...dac
>
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