Re: Type of force values in the tclForces script.

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Aug 25 2006 - 14:25:52 CDT

It's double-precision floating point, so you can make the value almost
anything. A force that is much smaller than the other forces in the
simulation will, of course, have no noticable effect.

-Jim

On Sat, 26 Aug 2006, Boyang Wang wrote:

> Dear all.
>
> I have a simple question. In the tclForces script, the force vector can be set like,
>
> set force {0.1 0 0}, meaning the variable force has a value of 0.1 kcal/(mol*A).
>
> Now I wonder if this 0.1 value is a double precision real number, or in other words, how many maximal bytes does this number have? Can I apply a force of the value 0.0000001 kcal/(mol*A) , as follows
>
> set force {0.0000001 0 0}
>
> ?
>
>
> Thanks for your time and have a good day.
>
> Boyang.
>
>
> Boyang Wang,
> Email - bwang9_at_uic.edu
> Major - Phys. Chem.
> dept Chemistry,
> Univ Illinois, Chicago,
> 60607 IL US.
>
> ---------------------------------
> Ż-3.5G20M

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