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://pwscf.org/pipermail/pw_forum/attachments/20130207/1f936a0c/attachment.html
