[gmx-users] Atomistic Simulation

panzu sergio.panzuela at estudiante.uam.es
Tue Dec 3 11:05:16 CET 2013

  Hello to everybody,

I am new in atomistic simulations and a have some doubts about how to do it.

I wanna simulate a mixture of Cyclohexane, Toluene and Dodecane.
My  questions are, ¿Where do I get the pdb files of these molecules  
from? and ¿How do I know which force field I should choose in pdb2gmx  
in order to make the itp file?

Thanks in advance,


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