[gmx-users] change the top file of a homodimer protein
Qasim Pars
qasimpars at gmail.com
Fri Apr 3 23:12:34 CEST 2020
Dear users,
My protein has a homodimer structure. Here is the last part of the topology
(.top) file:
[ molecules ]
; Compound #mols
Protein_chain_A 1
Protein_chain_B 1
The topology (.itp) files of both chains are the same. My question is that
can I change the last part of the topology file as follows?
[ molecules ]
; Compound #mols
Protein 2
Thanks in advance,
--
Qasim Pars
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