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GMX user,<?xml:namespace prefix = o ns =
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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"><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; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">Explicated
model of Poly (vinyl methyl ether) was built with ether parameters in OPLS Force
Field. The density and radius of gyration of PVME melts fit experimental value
well. And then it was solvated in Tip5p.<o:p></o:p></SPAN></P>
<P class=MsoNormal
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style="FONT-SIZE: 12pt; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-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; COLOR: green; FONT-FAMILY: Ó×Ô²; mso-hansi-font-family: ËÎÌå; mso-bidi-font-family: ËÎÌå; mso-font-kerning: 0pt">In
experiment, PVME should solvate in water well in ~300k. However, it totally
collapsed in my model. I have changed temperature and electricity but no
help.<o:p></o:p></SPAN></P>
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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">How
can I find a acceptable model? Any suggestion will be appreciated
!!!!!!<o:p></o:p></SPAN></P>
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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">I
feel increasing the polarity of PVME maybe helpful. Is it
right?<o:p></o:p></SPAN></P>
<P class=MsoNormal
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align=left><SPAN lang=EN-US
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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">Thanks
in advance.<o:p></o:p></SPAN></P></FONT></DIV>
<DIV><FONT face=Ó×Ô²
color=#008000>*************************************************<BR>Ji
Qing<BR>Polymer Physics<BR>Institute of Chemistry, Chinese Academy of
Sciences<BR>Tel: 0086-10-62562894
£¬82618423<BR>*************************************************</FONT></DIV></BODY></HTML>