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<DIV><FONT face=Arial size=2>I run steep energy minimization, and get such
information:</FONT></DIV>
<DIV><FONT face=Arial
size=2>-----------------------------------------------------------------------</FONT></DIV>
<DIV><FONT face=Arial size=2>Step= 1209, Dmax= 1.5e-05 nm, Epot=
1.86323e+05 Fmax= 3.43852e+04, atom= 178<BR>Step= 1211, Dmax= 9.0e-06 nm,
Epot= 1.86323e+05 Fmax= 5.74881e+03, atom= 134<BR>Step= 1212, Dmax=
1.1e-05 nm, Epot= 1.86323e+05 Fmax= 1.63386e+04, atom= 178<BR>Step= 1214,
Dmax= 6.5e-06 nm, Epot= 1.86323e+05 Fmax= 1.06725e+04, atom= 188<BR>Step=
1217, Dmax= 1.9e-06 nm, Epot= 1.86323e+05 Fmax= 5.74889e+03, atom=
134<BR><FONT color=#0000ff>Stepsize too small (9.72318e-07 nm)Converged to
machine precision,<BR>but not to the requested precision
(1000)</FONT></FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>writing lowest energy coordinates.</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>Back Off! I just backed up SWNT_b4md.gro to
./#SWNT_b4md.gro.5#</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2><FONT color=#0000ff>Steepest Descents did not
converge in 1218 steps</FONT><BR> Potential Energy =
1.86323e+05<BR>Maximum force: 1.06725e+04</FONT></DIV>
<DIV><FONT face=Arial
size=2>--------------------------------------------------------------</FONT></DIV>
<DIV><FONT face=Arial size=2>what is the reason
possibly?</FONT></DIV></BODY></HTML>