[gmx-users] Regarding groups making by make_ndx
mark.j.abraham at gmail.com
Fri Apr 3 11:17:01 CEST 2015
Yes, you can combine groups in make_ndx, probably with '&&' or something.
Check out its built-in help.
On 03/04/2015 10:49 am, "neha chaudhary" <nehachaudhary769 at gmail.com> wrote:
> 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,
> Research Scholar,
> Centre for Computational Biology and Bioinformatics,
> School of Life Sciences,
> Central University of Himachal Pradesh,
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