[gmx-developers] Force field parameters in water or in vacuum?
chihying2008 at gmail.com
Fri May 23 04:27:33 CEST 2008
For one molecule, will Gromacs give the same set of force field
parameters to this molecule no matter this molecule is put in water or
The bond length, the bond angle, and the dihedral angles of the same
molecule will be different in water and in vacuum.
So, will the force field parameters be changed/ adjusted in water than
How does Gromacs set the force field parameters for the molecule?
I mean..... are the force field paramters determined in local or in global?
Could I change parts of the force field parameters which I found from
the published paper?
Or, I could not change parts of the force field parameters; instead, I
have to change the whole set of the force field
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