AMBER Archive (2005)

Subject: AMBER: PBSA error: PB bomb in pd_aaradi

From: Xin Hu (hux_at_mail.rockefeller.edu)
Date: Wed Jun 22 2005 - 09:34:13 CDT

Dear Amber user,
I had a problem with the PBSA calculations. The error showed:
PB bomb in pb_aaradi(): ZERO sigma found for non-hydrogen atom

I attached the prmtop file. Is there something worng with the parameters
(generated from leap)?

Thank you,

Xin



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