Re: [AMBER] AmberTools1.5 &ff10

From: David A Case <>
Date: Wed, 6 Jul 2011 08:27:38 -0400

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.


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Received on Wed Jul 06 2011 - 05:30:08 PDT
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