Dear,<br><br>I would like to create a solution of mix substances (hexanol and octanol) in water. I got top files and gro files of these alcohols from PRODRG server. However I do not know how to mix these top file to create topol.top file for this mixture.<br>
<br>Please help me. <br><br>Thank you very much.<br><br>Best regards,<br><br>Cuong<br><br><div class="gmail_quote">2011/11/7 Dallas Warren <span dir="ltr"><<a href="mailto:Dallas.Warren@monash.edu">Dallas.Warren@monash.edu</a>></span><br>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:#1F497D">Might I suggest you actually state what you don’t understand. Otherwise you are leaving an open ended question for people to respond to, which they are unlikely
to do so. The more specific and more detail you put into your question, the more likely you are to get some useful assistance.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;color:#1F497D"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;color:#1F497D">“</span>table-extension = 20 ; (nm) !IMPORTANT! Set this so that rvdw + table-extension equals half of the box's longest diagonal.”<u></u><u></u></p>
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<p class="MsoNormal">Are you aware of the situation to which that sample .mdp file is used? Is that situation applicable for what you are doing?<u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;color:#1F497D"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;color:#1F497D">Catch ya,<br>
<br>
Dr. Dallas Warren<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;color:#1F497D">Medicinal Chemistry and Drug Action<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;color:#1F497D">Monash Institute of Pharmaceutical Sciences</span><span style="font-size:10.0pt;color:#1F497D">, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<a href="mailto:dallas.warren@monash.edu" target="_blank">dallas.warren@monash.edu</a><u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;color:#1F497D"><a href="tel:%2B61%203%209903%209304" value="+61399039304" target="_blank">+61 3 9903 9304</a><br>
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When the only tool you own is a hammer, every problem begins to resemble a nail.</span><span style="font-size:11.0pt;color:#1F497D">
<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;color:#1F497D"><u></u> <u></u></span></p>
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<p class="MsoNormal"><b><span style="font-size:10.0pt">From:</span></b><span style="font-size:10.0pt"> <a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">gmx-users-bounces@gromacs.org</a> [mailto:<a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">gmx-users-bounces@gromacs.org</a>]
<b>On Behalf Of </b>Ravi Kumar Venkatraman<br>
<b>Sent:</b> Saturday, 5 November 2011 8:13 PM<br>
<b>To:</b> <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
<b>Subject:</b> [gmx-users] Regarding Table Extension<u></u><u></u></span></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><b>Dear All,<br>
This is the site where they have mentioned like the sum of the longest diagnol of the box + rlist = table extension<br>
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<a href="http://smog.ucsd.edu/MDP_sample.html" target="_blank">http://smog.ucsd.edu/MDP_sample.html</a><br>
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Further whatever that was mentioned in the manual I could not understand. I kindly request any one of you to explain me the same.<br>
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Thank you</b><br clear="all">
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<b>With Regards,<br>
Ravi Kumar Venkatraman,<br>
IPC Dept., IISc,<br>
Bangalore, INDIA.<br>
<br>
<span style="color:#006600"><a href="tel:%2B91-9686933963" value="+919686933963" target="_blank">+91-9686933963</a>.</span></b><u></u><u></u></p>
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