[gmx-users] making index file
jojo J
joojoojooon at gmail.com
Wed Aug 25 22:22:07 CEST 2010
Hello,
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100825/6d9e8e3b/attachment.html>
More information about the gromacs.org_gmx-users
mailing list