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
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Received on Fri Jan 09 2009 - 01:10:05 PST
