<html>
Chris,<br><br>
<blockquote type=cite class=cite cite>Could someone please help me on
this. I am trying to make an octane box by using genconf. I have amended
the decane.itp and dec50 files from the distribution, and have arranged a
box which I have scaled, using editconf, to the correct density and
dimensions 3.0 5.5 4.5 nm. After a run, just octane no waters etc,
the density of the box decreases from 700 to 300. Could anyone tell me
where I am going wrong. Otherwise can I put a number of octanes randomly
in a water box and let gromacs form a three phase (water octane water)
system at the correct density of al three
compartments??</blockquote><br>
What temperature and coupling are you using? i.e. a copy of md.mdp would
be handy to see the settings you are using.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9076</html>