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<p class=MsoNormal>You can call the following whatever you want to:<o:p></o:p></p>
<p class=MsoNormal>[ moleculetype ]<br>
; Name nrexcl<br>
Protein
3<br>
<br>
<span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>This would probably be more appropriate:<o:p></o:p></span></p>
<p class=MsoNormal>[ moleculetype ]<br>
; Name nrexcl<br>
Hexane
3<br>
<br>
<span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>And this section, doesn’t really matter what it says here
either, this part is really for your own information:<o:p></o:p></span></p>
<p class=MsoNormal>[ system ]<br>
; Name<br>
Protein<br>
<br>
<o:p></o:p></p>
<p class=MsoNormal>This would probably be more appropriate:<o:p></o:p></p>
<p class=MsoNormal>[ system ]<br>
; Name<br>
Single hexane molecule<br>
<br>
<o:p></o:p></p>
<p class=MsoNormal>And finally this bit has too, of course, match with what
moleculetype you have defined:<br>
[ molecules ]<br>
; Compound #mols<br>
Protein
1<br>
<br>
<span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>So if you did the above, you would change this to:<o:p></o:p></span></p>
<p class=MsoNormal>[ molecules ]<br>
; Compound #mols<br>
Hexane
1<br>
<br>
<span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Catch ya,<br>
<br>
Dr. Dallas Warren<br>
</span><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Drug Delivery, Disposition and Dynamics</span><span
style='font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><br>
</span><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Monash Institute of Pharmaceutical Sciences</span><span
style='font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>,
Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
dallas.warren@pharm.monash.edu.au<br>
+61 3 9903 9167<br>
---------------------------------<br>
When the only tool you own is a hammer, every problem begins to resemble a
nail.</span><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'> <o:p></o:p></span></p>
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