AMBER Archive (2004)

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

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 16 2004 - 11:23:22 CDT

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?

...dac

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