[gmx-users] making index file

jojo J joojoojooon at gmail.com
Wed Aug 25 22:22:07 CEST 2010


I am trying to make two different groups from residues below. one under the
name Solute (residues a and b) and the other for solvent (residue c, SOL).
The only way I know now is to do this by splitting the list of atom numbers
[system] (default index file), from 1 to 362 and creating a new directive
[SOL] and putting the rest of the atoms under this directory. Can you please
help how to do this using the commands like nr, name... I could not do that
by reading the help option Thanks

 0 System              : 20343 atoms
  1 a                :    10 atoms
  2 b                 :   333 atoms
  3 c                 :  20000 atoms
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