From: Pijush Ghosh (pijush.ghosh_at_ndsu.edu)
Date: Tue Jun 14 2005 - 14:23:05 CDT
I guess its Kcal/(Mole x A).
Convert it into some kN/atom or pN/atom, this will make lot sense to you
when you decide about magnitude of force you are applying.
Department of Civil Engineering
North Dakota State University
Fargo. ND. 58105. USA
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Leandro Martínez
Sent: Tuesday, June 14, 2005 10:02 AM
Subject: namd-l: addforce
When I use a tcl script to add an external force to a simulation
using namd and use the addforce command, in what units this
force is being applied? Of course, that depends on the units that
are used inside namd for the coordinates, time and masses. I would
like to be sure about that, anybody can confirm this to me?
time: time-steps (usually 1 or 2 fs, depending on my input)
masses: g / mol
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