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For background, I am trying to run two independent and separate .conf files each on a different GPU. It is NAMD molecular dynamics simulations I am running. I login correctly and everything and...
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I am trying to run BFEE on my protein-ligand complex in a ionized water environment. I have all the NAMD files from my simulation; however, when I go to run BFEE with the files I get "the domain...
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Hello. I am trying to parametrize a ligand using SwissParam. It generated me topology (.rtf) and parameter (.prm) files, but the topology file isn't working in Autopsf so I can't generate a .psf...
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