On Wed, Jul 06, 2011, Takeshi Baba wrote:
> For atom: .R<Cl- 4319>.A<Cl- 1> Could not find type: Cl-
>
> We use the ff10 force filed.
You also have to add specific ion parameters, since they depend on the water
model you are using. For example
loadAmberParams frcmod.ionsjc_spce
will load parameters optimized for the SPC/E water model. This is stated
explicitly on p. 33 of the Users' Manual, although I admit that it is pretty
well hidden....We'll try to get that instruction more prominently displayed in
the future.
...regards...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 06 2011 - 05:30:08 PDT
