Re: SMD force units

From: Eric H. Lee (ericlee_at_ks.uiuc.edu)
Date: Mon Aug 11 2008 - 17:46:15 CDT

Actually the position in A is the timestep. The next three numbers
are the position of the SMD atom (or center of mass of group of atoms
you selected), followed by forces (in pN) in all three coordinate axes
(X, Y, Z).

-Eric L.

On Aug 11, 2008, at 5:33 PM, Roman Petrenko wrote:

> Dear all,
> in the namd output in SMD lines is the force reported in pN?
>
> i can guess that the position is in A, but what are the units of the
> force?
>
> SMD 25500 19.5574 -19.1312 59.2993 -7.38072 17.2529 -8.93802
> .....
> --
> Roman Petrenko.
> Physics Department
> University of Cincinnati

Eric H. Lee
Medical Scholars Program
Theoretical and Computational Biophysics Group, UIUC
ericlee_at_ks.uiuc.edu

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