[gmx-users] how to run a gases diffusiion simulation

vips g vipul_indian at rediffmail.com
Fri Mar 14 02:38:50 CET 2008


  
 hi to all
i am currently using GROMACS to run a simulation of gases diffusion  that includes hydrogen and oxygen gas .
I am stuck at the part in which I have to replace water with oxygen gas using genbox command.
I could no fond any .gro file for oxygen or hydrogen gas
How I can include the gas in my simulation
can any1 provide me any paper relating the use of gromacs for gases diffusion simulation
Thanking You
Sincerely
Vipul Gupta 
IIDS
University of Allahabad
India  
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