On Fri, Mar 04, 2016, Madhura De wrote:
> I have used Amber14 to run a NMR restrained simulation on a duplex
> DNA. Since I had incorporated distance restraints by qualitative
> analysis of the NOE, I need to perform iterative relaxation matrix
> approach to validate my restrained structure and NOE assignments. Is
> there any software compatible with Amber14 that I can use to perform the
> refinement procedure. My prmtop file was generated by xleap.Also, it
> would be of help if such a software could run on Linux. Insight II NMR
> refinement softwares do not run on Linux platforms. Madhura
Please see Section 24.2 of the Amber 2015 Reference Manual ("NOESY volume
restraints") for a discussion of this sort of refinement. This is an advanced
topic, so you should plan to spend time in learning and experimenting with it.
...dac
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Received on Fri Mar 04 2016 - 06:30:04 PST
