Dear all,
I have used accelerated molecular dynamics and obtained the trajectory. I
am aware of histogram reweighting and I have used the weights in the log
file to reweight various parameters like backbone torsion angles, radius of
gyration etc.
I am interested in some other parameters which include residue-wise
secondary structure propensities and radial distribution function of water.
I would like to hear any thoughts on reweighting of these parameters. Has
anybody performed reweighting of these parameters?
Any suggestions would be appreciated.
Thank you in advance!
Best regards,
Harsh
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Received on Sun Jun 04 2017 - 03:00:02 PDT
