[gmx-users] Regarding groups making by make_ndx

[neha chaudhary]

Hello Sir,

I want to make a new group that contain 2-3 amino acid residues present in
protein. But when I am running nvt simulation with this new group error
message like multiple t-coupling groups in (1 and 3). So, I am using
"splitres" option in make_ndx module of gromacs to separate number of
residues in protein. Is there any way to combine these separated residues
to make a new group .

Best Regards,

*Neha*

Research Scholar,
Centre for Computational Biology and Bioinformatics,
School of Life Sciences,
Central University of Himachal Pradesh,