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 > > > -- > ---------------------------------- > PhD candidate > Department of Chemistry > University of Illinois at Chicago > 845 W Taylor St., Room 4500 > Chicago, IL 60607 > Tel. (312) 996-5393 > ------------------------------------------ > > _______________________________________________ Pw_forum mailing list > Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ---------------------------------- 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/dc077442/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: bo.in Type: application/octet-stream Size: 1092 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130207/dc077442/attachment.obj
