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<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">Hi, all
gmx-users,</SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt"></SPAN>
</DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt"> I was
simulating a CCl<SUB>4</SUB> surface system. I encounter some problems. I
hope for your help.<?xml:namespace prefix = o ns =
"urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt"> <o:p>
</o:p></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">First I built
a 3x3x3 nm<SUP>3</SUP> CCl<SUB>4 </SUB>box, then solved it into
a 3x3x15 box in order to form gas/CCl4/gas surface system. After
simulating in NVT, two CCl<SUB>4</SUB> molecules run away to the gas phase.
I want to know how to control CCl<SUB>4</SUB> not to run to gas phase.
I used the gromos96 force field. Can you help me?<o:p></o:p></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt"> <o:p>
</o:p></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left;
mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE:
10pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">I expect your
answer. Thanks a lot!<o:p></o:p></SPAN></DIV>
<DIV><BR>H. Y. Xiao </DIV></FONT>
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