[AMBER] Calculating viscosity, thermal conductivity and self-diffusion coefficient

From: Chloe Jaiswal <chloe.jaiswal.yahoo.com>
Date: Fri, 8 Oct 2021 11:31:48 +0200

I am trying to calculate the viscosity (every 5 ts), thermal conductivity (every 5 ts), and self-diffusion coefficient (all ts) and I can’t find anything in the AMBER manual about outputting this. Is there a way through cpptraj to compute this?

AMBER mailing list
Received on Fri Oct 08 2021 - 03:00:03 PDT
Custom Search