CCL: simulation

 Sent to CCL by: Soren Eustis [soreneustis]*[gmail.com]
 Ramya,
    In addition, Packmol works very well for this.  It can be downloaded at:
 http://www.ime.unicamp.br/~martinez/packmol/.
 Soren
 --
 Dr. Soren N. Eustis
 ETH ­ Zurich
 Institute for Biogeochemistry and Pollutant Dynamics
 Universitatstrasse 16
 8092 Zurich
 +41 44 632 93 48 (office)
 +41 44 632 14 38 (fax)
 soren:env.ethz.ch
 On 5/13/10 2:40 AM, "qing shao shaoqingfly1981++gmail.com"
 <owner-chemistry:ccl.net> wrote:
 >
 > Sent to CCL by: qing shao [shaoqingfly1981^-^gmail.com]
 >
 > Ramya
 >   I think you can try "editconf" to put your solute in the center
 of
 > your box and "genbox" to generate your solvents. Please read the
 > manual for more information.
 > Regards
 > Qing
 >
 > On Wed, May 12, 2010 at 2:57 AM, rinu iyer rinuiyer{:}gmail.com
 > <owner-chemistry*o*ccl.net> wrote:
 >> dear subscribers,
 >>          i am using gromacs . i
 want to run a calculation in which i want to
 >> place a molecule in the centre during the generation of the box to do
 >> molecular dynamics simulation. the molecule is surrounded by solvents.
 >> can u tell me please how to run this calculation.
 >>
 >> Thanks in advance
 >> K.R.Ramya
 >> research fellow
 >> Indian Institute of science,Pune
 >> Tower, Sai Trinity Building, Sutarwadi Road, Pashan,
 >> Pune 411021, INDIA
 >>
 >
 >
 >
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 >