[gmx-users] How to create a group for a set of atoms with make_ndx

Dhaniram Mahato bioinfojsr at gmail.com
Thu Aug 15 18:21:39 CEST 2019


Index file is always in a serial no. You can check the residue serial no.
by opening the pdb in text format.

"gmx make_ndx " is the command to use to see all indices and then choose
your residues accordingly.


More information about the gromacs.org_gmx-users mailing list