Thanks David!
On 12/20/12 8:39 AM, "case" <case.biomaps.rutgers.edu> wrote:
>On Wed, Dec 05, 2012, Brown, Kyle wrote:
>>
>> I am interested in dynamic-ensemble refinement as described by in the
>> following article:
>>
>> http://www.nature.com/nature/journal/v433/n7022/full/nature03199.html
>>
>> The authors use CHARM. I would prefer to use AMBER. Does AMBER have
>> the functionality to generate NMR derived order parameter restraints for
>> use in refinement? I do not see this explicitly stated in the AMBER 12
>> Manual, but am curious if there is a work around or if this feature is
>> under development.
>
>Sorry for the long delay in my reply. As you have probably guessed, Amber
>doesn't really have any such capability. The LES facility allows a type
>of
>ensemble refinement, but order-parameter restraints have not been
>implemented,
>as far as I know.
>
>...regards...dac
>
>
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Received on Thu Dec 20 2012 - 14:00:04 PST
