On 12/28/2011 01:55 PM, ros wrote:
> I don't remember if that article includes non-bonded values for Cu+ and I
> don't think they will be the same. Copper 1+ has a different geometry of
> coordination. You can derive parameters for your particular systems with
> various methods already mentioned in this list.
>
> Good luck!
>
> Rodrigo.
>
> 2011/12/27 gaoya<agrace.gao.gmail.com>
>
>> 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.
>>>
Thank you very much~~
I will read this article carefully for more information!
Best wishes!
gao
>>> 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
>>
> _______________________________________________
> 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 - 22:30:02 PST
