[AMBER] reweighing aMD trajectory

From: Asmita Gupta <asmita4des.gmail.com>
Date: Mon, 16 Feb 2015 21:16:43 +0530

Dear users,

  I have run an AMD simulation on a 900 amino acid long protein structure.
I wanted to reweigh 2D histogram data from PCA, using the link given on
amber tutorial:

http://mccammon.ucsd.edu/computing/amdReweighting/


But the note at the end says that the current reweighing scheme will work
only for proteins that are 10-40 residues long...for larger structures the
profiles will be too noisy...

Can you please suggest any other scheme which i can use for reweighing?

Thank you

Asmita
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Received on Mon Feb 16 2015 - 08:00:03 PST
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