subject:"\[gmx\-users\] About Binary mixture"

Re: [gmx-users] About Binary mixture

2009-08-31 Thread Justin A. Lemkul

Abhishek Banerjee wrote: Hi all, 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 DM

[gmx-users] About Binary mixture

2009-08-31 Thread Abhishek Banerjee

Hi all, 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.