AMBER Archive (2004)

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

From: David A. Case (case_at_scripps.edu)
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.

...dac

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