Re: [AMBER] nonbond parameters for copper

From: gaoya <agrace.gao.gmail.com>
Date: Wed, 28 Dec 2011 13:40:24 +0800

Hello, thank you very much for your reply~~
But does Cu+ have the same nonbond parametes with Cu2+ ?

Best wishes!
gao

On 12/28/2011 01:34 PM, ros wrote:
> Hello!
> Check the work from Babu& Lim.
>
> http://www.ncbi.nlm.nih.gov/pubmed/16405342
>
> They do an excellent work on divalent metals. I've tested the Cu2+ values
> on several coordinated complexes and work great.
>
> Hope it helps!
>
> Rodrigo.
>
> 2011/12/27 gaoya<agrace.gao.gmail.com>
>
>> Dear all,
>> I need the nonbond parameters for Cu2+ and Cu+, can anyone give me some
>> suggestions? Thank you very much!
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 27 2011 - 22:00:03 PST
Custom Search