[gmx-users] Help with gmx make_ndx
Quyen V. Vu
vuqv.phys at gmail.com
Tue Aug 23 18:26:28 CEST 2016
Dear gromacs user,
my system contain such groups:
0 System : 943920 atoms
1 DNA : 3198 atoms
2 LA : 76 atoms
3 CL : 130 atoms
4 Water : 940516 atoms
5 SOL : 940516 atoms
6 non-Water : 3404 atoms
7 Other : 76 atoms
8 LA : 76 atoms
9 CL : 130 atoms
10 Ion : 130 atoms
11 LA : 76 atoms
12 CL : 130 atoms
13 Water_and_ions : 940646 atoms
Now, I want to get index of La and CL ions then I type:
gmx make_ndx -f em.gro -o index.ndx
at the make_ndx prompt I type: "8|9"
then in my index.ndx I get group [LA_CL], also get [system] group ( too
much index)
How can I use correct make_ndx?
Thank you.
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