[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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