AMBER Archive (2009)

Subject: [AMBER] PBSA: PB bomb in pb_setgrd()

From: Larry Layne (
Date: Wed Jan 07 2009 - 09:33:57 CST

I received an error when trying run the mmpbsa program on my protein complex. The output in the out file that showed an error gave me the "PB bomb in pb_setgrd()" error. After looking at the archive, I found a remedy ( that suggested that I set my space value to 0.5, to which it was already set. I attempted the second suggestion, which was using single precision, but could not find the file, or any similar files, with which I could comment out the suggested line. Is there any other means I can overcome this error in amber 9? I've included the error output file.

Thank you,

AMBER mailing list