AMBER: PB bomb in pb_saarc

From: S. Frank Yan <>
Date: Tue, 18 May 2004 13:41:41 -0700


I was trying to use the pbsa program to compute the salvation free
energy of a protein-ligand complex. The input is generated from with radiopt set to 0, and the error message is:

Number of SA srf points exposed 53573
 PB bomb in pb_saarc(): Allocation aborted 0
                  494 494

Also, a related question on setting the radius parameters of the ligand
in pbsa which does not recognize the small-lettered atom types generated
from GAFF. Is it possible that we can use the PARSE parameters?

Thanks a lot,

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Received on Tue May 18 2004 - 21:53:01 PDT
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