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<DIV><FONT face=Ó×Ô²>Hi: </FONT></DIV>
<DIV><FONT face=Ó×Ô²>every one!</FONT></DIV>
<DIV><FONT face=Ó×Ô²></FONT> </DIV>
<DIV><FONT face=Ó×Ô²> In the GROMOS96 source file there is a file
named as ffG53a6nb.itp that relate to nonbond interaction parameters .
one found 3 items:</FONT></DIV>
<DIV><FONT face=Ó×Ô²>1.[ atomtypes ]<BR>2.[ nonbond_params ]</FONT></DIV>
<DIV><FONT face=Ó×Ô²>3.[ pairtypes ]</FONT></DIV>
<DIV><FONT face=Ó×Ô²><BR>The unit 'CH2' both parameterized in 1. and
2.</FONT></DIV>
<DIV><FONT face=Ó×Ô²></FONT> </DIV>
<DIV><FONT face=Ó×Ô²>Since the GMX have already used combination rule whether
<SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: Times; mso-bidi-font-size: 10.0pt; mso-fareast-font-family: ËÎÌå; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">an
arithmetical or geometrical averaged, <FONT color=#ff0000>why there is the
parameters in above 2 items</FONT> ? </SPAN></FONT></DIV>
<DIV><FONT face=Ó×Ô²><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: Times; mso-bidi-font-size: 10.0pt; mso-fareast-font-family: ËÎÌå; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></FONT> </DIV>
<DIV><FONT face=Ó×Ô²><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: Times; mso-bidi-font-size: 10.0pt; mso-fareast-font-family: ËÎÌå; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">And
more important is the values of these parameter is different ! <FONT
color=#ff0000>Which one is the real parameter for
simulation</FONT>?</SPAN></FONT></DIV>
<DIV><FONT face=Ó×Ô²><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: Times; mso-bidi-font-size: 10.0pt; mso-fareast-font-family: ËÎÌå; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></FONT> </DIV>
<DIV><FONT face=Ó×Ô²><SPAN lang=EN-US
style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: Times; mso-bidi-font-size: 10.0pt; mso-fareast-font-family: ËÎÌå; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">Thank
in advance</SPAN></DIV></FONT></DIV></BODY></HTML>