[gmx-users] About Binary mixture
a.banerjee at ymail.com
Mon Aug 31 20:09:02 CEST 2009
Actually I want simulate some binary liquid mixture like DMF and methanol and just want to find diffusion coefficient for each of the components. But the problem is I am not able to create DMF solvent box. I have created the .itp and .pdb file of DMF from http://davapc1.bioch.dundee.ac.uk/prodrg/. I am new to gromacs. If someone kindly give me some advice, will be helpful for me.
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