Thank you Jason and David for your replies. Is it possible to
automatically generate random ig values and restart a new refinement?
Thanks
Best
Baptiste
Le 07/09/2010 14:03, case a écrit :
> On Tue, Sep 07, 2010, Baptiste Legrand wrote:
>> I'm a new amber user (I'm more familiar with cns). At the moment, I'm
>> following the tutorial4 on the nmr refinement on a DNA duplex to
>> determine a modified peptide conformation. All is fine but I'm quite
>> surprised to have only one structure at the end of the sander run and
>> not a set of structure. Is there an option to activate or a more
>> specific protocol to calculate several structures?
> In Amber, you are expected to run the refinement many times (with random
> initial velocites, or different starting structures) in order to obtain a
> family of structures.
>
> ....dac
>
>
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Received on Tue Sep 07 2010 - 07:30:03 PDT
