From: Harindar Keer (hkeer_at_uci.edu)
Date: Fri Jan 16 2004 - 14:06:28 CST
I trying to minimize the system, which consists of protein complex
imbedded in membrane. I am using preequilibrated membrane pacth.
I am able to minimize protein complex and membrane separately.
But when I make a hole in membrane patch and place protein complex in
it. And try to minimize the system, I am getting following warning
Warning: Bad global exclusion count, possible error!
Warning: Increasing cutoff during minimization may avoid this.
it is followed by reaching the following stage during minimization
INITIAL STEP: 1e-300
GRADIENT TOLERANCE: nan
BRACKET: 0 0 nan nan nan
I also tried to minimize the Membrane patch with hole in it without
placing the protein complex. Initial I see the warning about bad global
exclusion count but after few minimization steps it no longer remain.
Any help regarding where the problem can lie or what to look for will be
of great help to me.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:18 CST