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