AMBER Archive (2009)

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

From: Larry Layne (llayne_at_andrew.cmu.edu)
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 (http://archive.ambermd.org/200408/0093.html) 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,
Larry


_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber