AMBER Archive (2004)

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

From: David A. Case (
Date: Sat Jul 17 2004 - 20:09:22 CDT

On Sat, Jul 17, 2004, 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.


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