[gmx-users] ffamber_chcl3.gro

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Wed Dec 5 02:32:27 CET 2007


> > So this means that for me it's impossible to run the simulation of a
phenol
> > in a box of chloroform with ffamber99?
> 
> No, it just means that you need to derive the parameters for these
molecules
> yourself according to the methods used in deriving the initial force
fields.

Or find the files / publications someone has done previous on that
situation.

Catch ya,

Dr. Dallas Warren
Lecturer
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 9524
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.



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