Do I need to edit position restrain file for both protein and ligand manually, or may I perform changing parameter "define" from NVT.mdp and NPT.mdp files? Total number of atoms before simulation is 4600 atoms (PDB file). Much appreciated for the help.
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- 2$\begingroup$ Please edit the question to limit it to a specific problem with enough detail to identify an adequate answer. $\endgroup$Community– Community Bot2025-10-31 11:16:13 +00:00Commented Oct 31 at 11:16
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