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Hello Experts. I would like to calculate the concentration of a solute (GABA) inside MD simulation cell which is already explicitly solvated with water and counter ions (NaCl). 0.15 M NaCl is...
04 April 2018 8,292 5 View
I performed MD simulation of ligand-protein complex in Gromacs and now I would like to visualize the h-bonds formed between ligand-protein over the course of MD simulation. I tried to set...
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