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<blockquote type=cite class=cite cite>In the case of of creating a new
one for example dioxane which could be the <br>
procedure? Something like this?<br>
1. make the topology in the PRODRG server.<br>
2. make a box and filled with the new solvent.<br>
3. equilibrate the box<br>
This procedure is correct??</blockquote><br>
Then run a simulation and check that its physical properties reproduce
experimental values. Such as density, enthalpy of vapourisation,
dielectric constant etc.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Lecturer<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083<br>
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