Re: SMD force units

From: Eric H. Lee (ericlee_at_ks.uiuc.edu)
Date: Mon Aug 11 2008 - 17:50:30 CDT

By "A" I should have said "index 1" when grepping the line. So index
1 of the line (with "SMD" as index 0) is the timestep. Yeah the
position units are in angstroms, and force in pN.

-Eric

On Aug 11, 2008, at 5:46 PM, Eric H. Lee wrote:

> 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
>

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

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