CCL: simulation

From: qing shao <shaoqingfly1981]~[gmail.com>
Subject: CCL: simulation
Date: Wed, 12 May 2010 17:40:19 -0700

 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%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
 >