[AMBER] Finding PDF of individual dihedral angles

From: Mahendra B Thapa <thapamb.mail.uc.edu>
Date: Mon, 21 Dec 2015 12:27:37 -0500

Dear AMBER Developers,

I am trying to find probability distribution function of individual
dihedral angles. A module was supposed to add in AMBERTOOL as explained in
'Journal of Computational Chemistry 2013, 34, 198-205'. Does this happen
already or is it still working on ?

I did this using histogram approach and then fitting Gaussian curve. I am
interested to test these results with other available tools or approaches.

Thank you,
Mahendra Thapa
University of Cincinnati,OH
AMBER mailing list
Received on Mon Dec 21 2015 - 09:30:04 PST
Custom Search