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<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">Hi
GMX user:</SPAN><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><?xml:namespace
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<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">A
model for Poly(vinyl methyl ether) was built with OPLS force field ( all H
).</SPAN><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><o:p></o:p></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><FONT
color=#000000> <o:p></o:p></FONT></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">When
the model was run alone (a single chain) in vacuum, anything goes ok.
</SPAN><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><o:p></o:p></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><FONT
color=#000000> <o:p></o:p></FONT></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">But
with 45 chains box, the system will be collapse with a little bond elongates
abnormal whatever in NVT or NPT.</SPAN><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><o:p></o:p></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><FONT
color=#000000> <o:p></o:p></FONT></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">The
relax time of pressure and temperature were adjust but no helpful.</SPAN><SPAN
lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><o:p></o:p></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><FONT
color=#000000> <o:p></o:p></FONT></SPAN></P>
<P class=MsoNormal
style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan"
align=left><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">How
can I found some possible reason and then fix it ? Any advise will be
appreciated.</SPAN><SPAN lang=EN-US
style="FONT-SIZE: 12pt; FONT-FAMILY: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt"><o:p></o:p></SPAN></P></FONT></DIV>
<DIV><FONT face=Ó×Ô² color=#008000></FONT> </DIV>
<DIV><FONT face=Ó×Ô²
color=#008000>*************************************************<BR>Ji
Qing<BR>Institute of Chemistry, Chinese Academy of Sciences<BR>Tel:
0086-10-62562894
£¬82618423<BR>*************************************************</FONT></DIV></BODY></HTML>