Is there a way to mutate x residue in Chain_A (1000atoms) and y residue in Chain_B(2000atoms) using pmx? I tried to submit one to webpmx but it did not accept. If not, do I just add all whole numbers assigned for atoms in Chain_B_hybrid.itp by 1000 for [bonds] [pairs] [angles] [dihedrals] except constants?
Hi,
You can mutate two residues from two different protein chains (present in a single PDB file) in the pmx web server.
Mention “Number of mutations: 2”,
“1. Chain ID: A”, “1. Amino acid number: x”
“2. Chain ID: B”, “2. Amino acid number: y”
That should work.
Best,
Sudarshan
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Thank you very much. That saves a lot of time. 