From owner-chemistry@ccl.net Wed Feb 17 09:21:02 2010 From: "Esteban Gabriel Vega Hissi egvega^gmail.com" To: CCL Subject: CCL: Software for molecular cluster Message-Id: <-41269-100217091031-16521-PiUtB0nmu9GwcB6mPcZufw---server.ccl.net> X-Original-From: Esteban Gabriel Vega Hissi Content-Type: multipart/alternative; boundary=0016e6d7eaa7fbeb01047fcc68f4 Date: Wed, 17 Feb 2010 11:09:58 -0300 MIME-Version: 1.0 Sent to CCL by: Esteban Gabriel Vega Hissi [egvega**gmail.com] --0016e6d7eaa7fbeb01047fcc68f4 Content-Type: text/plain; charset=ISO-8859-1 Hi, try PackMol http://www.ime.unicamp.br/~martinez/packmol/ Hope this help Esteban 2010/2/17 Dr. Attila Bende bende..itim-cj.ro > > Sent to CCL by: "Dr. Attila Bende" [bende.:.itim-cj.ro] > Dear CCL Subscribers! > > Can anybody suggesting me a free molecular modeling software which is > enable to generate a randomly distributed two-component (e.g. water and > dimethylethyleneurea) molecular bulk. I would like to use for a molecular > dynamics simulation. > > Many thanks. > Attila > > -- > Dr. Bende Attila (PhD) > Senior Researcher II > > *************************************************** > Molecular and Biomolecular Physics Department > National Institute for R&D of Isotopic and Molecular Technologies > Str. Donath nr.65-103, C.P.700 > Cluj-Napoca, R-400293, Romania > Phone:+40-264-584037, ext 194, Fax: +40-264-420042 > e-mail: bende]~[itim-cj.ro, attlbende]~[gmail.com > Web: http://www.itim-cj.ro/~bende > http://www.researcherid.com/rid/A-6539-2008 > ***************************************************> > > --0016e6d7eaa7fbeb01047fcc68f4 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Hi,
try PackMol
http://www.ime.unicamp.br/~martinez/packmol/

Hope this help=

Esteban

2010/2/17 Dr. Attila Bend= e bende..itim-cj.ro <= ;owner-chemistry:-:ccl.net>=

Sent to CCL by: "Dr. Attila Bende" [bende.:.itim-cj.ro]
Dear CCL Subscribers!

Can anybody suggesting me a free molecular modeling software which is
enable to generate a randomly distributed two-component (e.g. water and
dimethylethyleneurea) molecular bulk. I would like to use for a molecular dynamics simulation.

Many thanks.
Attila

--
Dr. Bende Attila (PhD)
Senior Researcher II

***************************************************
Molecular and Biomolecular Physics Department
National Institute for R&D of Isotopic and Molecular Technologies
Str. Donath nr.65-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext 194, Fax: +40-264-420042
e-mail: bende]~[itim-cj.ro<= /a>, attlbende]~[gmail.com
Web:
http://ww= w.itim-cj.ro/~bende
=A0 =A0 http://www.researcherid.com/rid/A-6539-2008
***************************************************



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