[Pw_forum] MD simulation temperature

[niladri patra]

Hi,

 I have the inut file from PLUMED (example SN2/metadynamics) . Please see
the attached input file. It is under &ion section.

Also it can be found here:

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#id1488311

Thanks,
Niladri



On Thu, Feb 7, 2013 at 6:13 PM, Ali KACHMAR <kachmar_ali at hotmail.fr> wrote:

>  Hi,
>
> Where did you see this command? which example?
>
> Best,
> Ali
> ------------------------------
> Date: Thu, 7 Feb 2013 17:49:37 -0500
> From: npatra2 at uic.edu
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] MD simulation temperature
>
>
> Hi,
>
> I would like to run a md simulation for a chemical reaction at 300K. I see
> that there is a command "tempw=300" under $ions. I would like to confirm
> that this is the right input to run MD at 300K.
>
> Thank You,
> Niladri Patra
>
>
> --
> ----------------------------------
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> University of Illinois at Chicago
> 845 W Taylor St., Room 4500
> Chicago, IL 60607
> Tel. (312) 996-5393
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-- 
----------------------------------
PhD candidate
Department of Chemistry
University of Illinois at Chicago
845 W Taylor St., Room 4500
Chicago, IL 60607
Tel. (312) 996-5393
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