AMBER Archive (2004)

Subject: Re: Re: AMBER: Why the surface calculations sometimes fail?

From: David A. Case (
Date: Mon Dec 13 2004 - 20:29:17 CST

On Thu, Dec 09, 2004, hj zou wrote:
> Please find enclosed as attachment the log file and pdb.
> This is the ninth complex snapshot extracted from trajectory.
> The calculation of surface area of this snapshot failed while that of
> the previous eitht snapshots worked well.

Can you provide the prmtop (or the pqr file) that you actually used...the
problem may arise with the radii or coordinates of the ligand.


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