From: LEWYN LI (ll2150_at_columbia.edu)
Date: Tue Jun 14 2005 - 14:07:10 CDT
The force is in kcal/mol Angstrom. The conversion factor is
69.4786 pN = 1 kcal/mol Angstrom.
On Tue, 14 Jun 2005, Leandro Martínez wrote:
> Hi all,
> 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
> coordinates: angstroms.
> Thank you,
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