[gmx-users] CHCl3

[Dallas Warren]

Tanos,

>         I need to perform a simulation in a box of CHCl3 but I don't know how
>should I proceed to build a box of CHCl3 instead of a box of water. Could
>someone help me ?

I suspect simply use genbox as you do for making a box of water, just 
specify the solvent you want to use with the -cs switch (the default of 
which is SPC water).

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9076
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20030103/e714eeaf/attachment.html>