[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,
Panzu
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