[gmx-users] Please tell me how to simulate two structures together in a water box

Mark Abraham Mark.Abraham at anu.edu.au
Tue Nov 10 08:01:01 CET 2009


radhika jaswal wrote:
> Respected Sir,
> Please tell me how to simulate two different stuctures together in a 
> water box so as to have an idea of drug docking and what options to use. 
> Any suggestions are welcome.

Your question is too general. If you need help with GROMACS workflows, 
you should explore some tutorial material. If you need to design your 
method, you should start with reading literature.

Mark



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