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Questions related from Priyam Bharadwaz
Can someone help me for arranging the orbital number (alpha and beta) in Turbomole programme? I found, in case of Gaussian and ORCA its not a problem, as they provides alpha and beta set...
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I am trying to generate topology file in GROMACS for an enzyme (PDB code =1HBN). But I encountered the following error. Fatal error: "The residues in the chain ALA2--ALA549 do not have a...
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