[gmx-users] peptide in Acetonitrile and water

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Jan 5 00:04:28 CET 2005

>I want make a simulation of a peptide in a mixture of 50% of water an 50% 
>of  Acetonitrile but i don't know how to make a mixture of this two 
>solvents with my peptide

You can may be set up a small mixed box of them and use that with the -cs 
switch with genbox when you solvate it.  No idea if it will handle the two 
residue names correctly or not.

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 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.
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