From: Ropon-Palacios G. (groponp_at_gmail.com)
Date: Sun Jun 13 2021 - 22:26:03 CDT

Der user,

 

I’ve performed smd simulation (100 traj) saving 5000 datapoint for each traj, and want know as can perform Jarzynski equality, using tcl.

 

Best.

 

--
Ropón-Palacios G. BSc., MSc. 
Computational biophysicist, 
Associate Research, 
Laboratorio de Modelagem Computacional, 
Departamento de Ciências Exatas, 
Universidad Federal de Alfenas, Minas Gerais, Brasil. 
Phone: +51 935 055240. 
E-mail: groponp_at_gmail.com.