<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Paper Manual -> Index -> "Combination Rules"<DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Erik</DIV><DIV><BR><DIV><DIV>On Dec 22, 2005, at 10:54 AM, 主月 ：） wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"> <DIV>Hi everyone:</DIV> <DIV><FONT face="幼圆" color="#008000">The Lennard-Jones interaction in GMX has two parameters.<FONT color="#ff0000">C(12)ij and C(6)ij</FONT> or <FONT color="#ff0000">Eij and rij</FONT> .I want to set different value for them but the value should set to <FONT color="#ff0000">C(12)ij and C(6)ij</FONT> or <FONT color="#ff0000">Eij and rij</FONT> .</FONT></DIV> <DIV><FONT face="幼圆" color="#008000"></FONT> </DIV> <DIV><FONT face="幼圆" color="#008000"></FONT> </DIV> <DIV><FONT face="幼圆" color="#008000">And the two types of combination rules can be used within GROMACS, <FONT color="#ff00ff">how can i choose them ?<BR></FONT><SPAN lang="EN-US" style="FONT-SIZE: 10.5pt; COLOR: green; FONT-FAMILY: 幼圆; mso-bidi-font-size: 12.0pt; mso-hansi-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN><DIV><clip_image002.jpg></DIV></SPAN></SPAN></FONT></DIV> <DIV><FONT face="幼圆" color="#008000" size="3"><SPAN lang="EN-US" style="FONT-SIZE: 10.5pt; COLOR: green; FONT-FAMILY: 幼圆; mso-bidi-font-size: 12.0pt; mso-hansi-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></FONT> </DIV> <DIV><FONT face="幼圆" color="#008000" size="3"><SPAN lang="EN-US" style="FONT-SIZE: 10.5pt; COLOR: green; FONT-FAMILY: 幼圆; mso-bidi-font-size: 12.0pt; mso-hansi-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></FONT> </DIV> <DIV><FONT face="幼圆" color="#008000"></FONT> <SPAN><DIV><clip_image002.jpg></DIV></SPAN>_______________________________________________</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">gmx-users mailing list</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please don't post (un)subscribe requests to the list. Use the<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.</DIV> </BLOCKQUOTE></DIV><BR><DIV> <SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><DIV>-----------------------------------------------------------</DIV><DIV>Erik Lindahl <<A href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</A>> Backup address: <<A href="mailto:erik.lindahl@gmail.com">erik.lindahl@gmail.com</A>></DIV><DIV>Assistant Professor, Computational Structural Biology</DIV><DIV>Stockholm Bioinformatics Center, Stockholm University, SE 106 91 Stockholm</DIV><DIV>Phone: +46 8 5537 8564 Fax: +46 8 5537 8214</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR class="Apple-interchange-newline"></SPAN></SPAN> </DIV><BR></DIV></BODY></HTML>