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
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php

