Hi !,
You could tray to use the attached software. It’s a fortran program to
calculate correlation functions and spectral density functions for
selected atom pairs from AMBER molecular dynamics trajectory files.
Hope this will help you.
Regards,
H.A.B.
> From: Mahendra B Thapa <thapamb.mail.uc.edu>
> Date: Thu, 5 Jan 2012 17:51:35 -0500
>
> Dear all,
> I got the output files after 50 nS molecular dynamics
> simulation of a protein using AMBER 11. Let me help how to process these
> data to get spectral density to get plot of J(0) and residue number.
>
> Thanks,
> Mahendra Thapa
> University of Cincinnati
---------------------------------
Dr. Hector A. Baldoni
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)2652-423789 ext. 157
----------------------------------
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Received on Sat Jan 07 2012 - 15:30:02 PST
