Re: rescaling velocity

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Jun 17 2011 - 13:16:44 CDT

You're going to have to hack the integrator in Sequencer.C to do that.

-Jim

On Fri, 17 Jun 2011, esmael wrote:

> Thanks Jim,
>
> I am trying to create a reflecting velocity wall around some of the
> atoms during the simulation; i.e. when these atoms cross the wall
> boundaries their velocities get reversed.
>
> Esmael
>
>
> On Jun 17, 2011, at 12:45 PM, Jim Phillips wrote:
>
>>
>> No, but if you describe what you're trying to accomplish someone might be able to suggest a different or better way of doing it.
>>
>> -Jim
>>
>>
>> On Wed, 15 Jun 2011, esmael wrote:
>>
>>> Hi,
>>>
>>> Is it possible to rescale velocities for a given set of atoms during the simulation using the "rescalevels" command? or this command always rescales the velocities of all atoms in the system?
>>>
>>> Thanks a lot,
>>>
>>> Esmael
>>>
>>>
>>>
>>>
>>
>
>

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