<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Feb 2, 2010, at 11:25 AM, Matteus Lindgren wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div lang="SV" link="blue" vlink="purple"><div class="Section1"><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; ">Hi,<o:p></o:p></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><o:p> </o:p></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US">Is it possible to use both Lennard-Jones and Buckingham parameters in the same simulation?</span></div></div></div></span></blockquote>I believe it does allow it, you need to define the potentials and give the corresponding one to the </div><div>atom pairs concerned.</div><div>See the chapter on topology<br><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div lang="SV" link="blue" vlink="purple"><div class="Section1"><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US"><o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US"><o:p> </o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US">If not, can the program sigeps convert from Buckingham to LJ? It seems to me it cannot.<o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US"><o:p> </o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US">Thanks<o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US">Matteus<o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US" style="font-size: 12pt; font-family: 'Times New Roman', serif; ">--------------------------------------------------------- <o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US" style="font-size: 10pt; font-family: Arial, sans-serif; ">Matteus Lindgren, graduate student<br>Department of Chemistry, Umeå University<span class="Apple-converted-space"> </span><br>SE-901 87 Umeå, Sweden<br>Phone: +46 (0)90-7865368 <o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US" style="font-size: 12pt; font-family: 'Times New Roman', serif; "> <o:p></o:p></span></div><div style="margin-top: 0cm; margin-right: 0cm; margin-bottom: 0.0001pt; margin-left: 0cm; font-size: 11pt; font-family: Calibri, sans-serif; "><span lang="EN-US"><o:p> </o:p></span></div></div>--<span class="Apple-converted-space"> </span><br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org" style="color: blue; text-decoration: underline; ">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" style="color: blue; text-decoration: underline; ">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at<span class="Apple-converted-space"> </span><a href="http://www.gromacs.org/search" style="color: blue; text-decoration: underline; ">http://www.gromacs.org/search</a><span class="Apple-converted-space"> </span>before posting!<br>Please don't post (un)subscribe requests to the list. 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