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<P><FONT SIZE=2>Hi All,<BR>
<BR>
<BR>
ASSUMTION: Bad starting structure<BR>
<BR>
PROBLEM: 1-4 interaction longer than.../large velocity of center of mass<BR>
<BR>
FACTS:<BR>
a) energy minimized well with double precision<BR>
b) system net charge = -22.816e<BR>
c) electrostatic method = cut-off<BR>
<BR>
TRIED AND FAILED: setting LOGBUFS=0<BR>
<BR>
<BR>
INFORMATION SHOUGHT :<BR>
possible ways to resolve the problem<BR>
<BR>
With regards,<BR>
Abu Naser<BR>
PhD Student<BR>
School Of Life Sciences<BR>
Heriot-Watt University<BR>
Edinburgh<BR>
EH14 4AS<BR>
Email: mn2@hw.ac.uk<BR>
Phone: +44(0)1314518265<BR>
Mobile:+44(0)7814877110<BR>
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