[gmx-users] HOW TO SPLIT RESIDUES

[Subashini .K]

Hi gromacs users,

How to split residue 2?

Here, there are two identical organic compounds in water.

Each compound has 29 atoms (consisting of carbon, nitrogen and hydrogen)

Gave the command splitres 2.

How to proceed after that?


0 System              :  9664 atoms
  1 Other               :    58 atoms
  2 MOL                 :    58 atoms
  3 Water               :  9606 atoms
  4 SOL                 :  9606 atoms
  5 non-Water           :    58 atoms

 nr : group       !   'name' nr name   'splitch' nr    Enter: list groups
 'a': atom        &   'del' nr         'splitres' nr   'l': list residues
 't': atom type   |   'keep' nr        'splitat' nr    'h': help
 'r': residue         'res' nr         'chain' char
 "name": group        'case': case sensitive           'q': save and quit
 'ri': residue index

Thanks,
Subashini.K