Dear Case
Thank you for your advice.
I get the topology and coordinate file.
I don't know we must add specific ion parameters.
Takeshi Baba
On 2011/07/06, at 21:27, David A Case wrote:
> 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
>
>
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>
----------------------------------------------------------------------------------------------------
Takeshi Baba
Graduate School of Life Science, University of Hyogo,
3-2-1 Koto, Kamigori, Akoh-gun, Hyogo 678-1297, Japan
E-mail: tbaba.cheng.es.osaka-u.ac.jp
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Received on Wed Jul 06 2011 - 06:00:05 PDT
