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Questions related from Tarik Boutadghart
Dear All, I have a question that has been bothering me for a long time. Well, using Gaussian and Gausview, I tried to find the transition state (TS) of a reaction consisting of two reactants, one...
29 July 2023 4,348 0 View
Dear all I need help on how I use the protein and ligand in the GROMACS and the step I need to do to get the RMSD (the curves) and solvent accessible surface (SASA) analyses) ?
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Dear all I want to know how I can find the second TS output file (bidentate structure) knowing that I have the first TS output file well optimized by Gaussian 09 (DFT: B3LYB / 6-31G)? i need the...
29 November 2021 9,998 3 View
