From: Lam T Nguyen (ltn05c_at_fsu.edu)
Date: Tue Sep 02 2008 - 13:22:14 CDT
I recently got these warning when I increased the number of atom ~
80000. That included increasing in number of residue, group ...
At first I thought there would be some problem with the system setup. I
tested with smaller number of atom (like ~50000 atoms) and it's OK. I've
been looking at suggestion for possible errors, like ones in the
structure, etc, but it did not help much.
Here are the warnings:
TCL: Minimizing for 20 steps
Warning: Bad global exclusion count, possible error!
Warning: Increasing cutoff during minimization may avoid this.
Warning: Bad global bond count!
ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY
MISC KINETIC TOTAL TEMP
TOTAL2 TOTAL3 TEMPAVG PRESSURE
GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 0 7675440.0997 15.0940 0.0000
0.0000 140.7825 99999999.9999 0.0000
0.0000 0.0000 99999999.9999 0.0000 99999999.9999
99999999.9999 0.0000 639.3370 639.3370
99999999.9999 639.3370 639.3370
any help please.
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