[AMBER] Units in dist_vs_t file from SMD simulation

From: Nisler, Collin R. <nisler.1.buckeyemail.osu.edu>
Date: Fri, 6 May 2016 21:08:34 +0000

Hello, I ran a steered molecular dynamics simulation using jar=1, and now have the dist_vs_t file. I am fairly certain that the third column of this file is the force of pulling at each step, but I am uncertain what its units are. Is this in kcal/mol, or in piconewtons? Thanks very much.


Collin Nisler

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Received on Fri May 06 2016 - 14:30:03 PDT