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Questions related from Gabriel L. Carvalho
I'm trying to run a simulation with gromacs and I have a question. How do I generate an .itp file with a geometry that is a MoSSe supercell with a H-passivated pore?
last month 7,134 0 View
I'm trying to generate a topology of a TMD, specifically a MoS2 and a MoSe2. Is there any method to generate the .itp file? I'll use GROMACS to do my simulations. Acpype doesn't work with these...
15 June 2025 1,300 0 View
I'm trying to do a simulation with NAMD, specifically the tutorials: Modeling Nanopores for Sequencing DNA by: Jeffrey R. Comer, David B. Wells and Aleksei Aksimentiev. I'm in chapter 3.2:...
01 April 2025 1,262 1 View
