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I have a single file of 3827 molecules in pdb format. When I am loading the file into pyrx, it can't load the molecules. The remaining time shown 699 hours and keep on increasing. My laptop has 8...
08 July 2022 6,723 1 View
I did MD simulation for 10 ns. the ligand was inside the simulation box upto 10ns. only in the 3rd ns the structure was ok. in all other time one of its double bond was missing. many times the OH...
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How can I convert an enzyme pdb file into a topology file for GROMACS use? Note that I don't have the facility to run GROMACS. I have to use its webportal. PRODRG converts only ligands into...
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