[Pw_forum] MD simulation temperature

niladri patra npatra2 at uic.edu
Thu Feb 7 23:49:37 CET 2013


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


-- 
----------------------------------
PhD candidate
Department of Chemistry
University of Illinois at Chicago
845 W Taylor St., Room 4500
Chicago, IL 60607
Tel. (312) 996-5393
------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130207/1f936a0c/attachment.html>


More information about the users mailing list