I think you just say
{within(3.0, [lig])}.temperature= 3.0
or
{within(3.0, [lig])}.partialCharge = 0.3
On Mon, Dec 8, 2008 at 7:45 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote:
> Hi Bob,
>
> Is there a script command I can use to add values for the temperature
> property of the selected atoms in a protein? For example, I would like
> to select atoms at a certain distance from a ligand using 'select
> within...', and then give those atoms a value for temperature, then
> convert that to partial charge.
>
> Thanks,
> Frieda
>
> ///////////////////////////////////////////
>
> Frieda Reichsman
> Molecules in Motion
> Interactive Molecular Structures
> http://www.moleculesinmotion.com
>
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>
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
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If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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