Hello everyone,
I tried the command of gmx distance to calculate COM between protein and ligand after running the pull code.
$ gmx distance -s pull.tpr -f conf.gro -n index.ndx -select 'com of group "WTZT" plus com of group "Protein" ' -oall dist.xvg
I received the error:
Inconsistency in error input:
Invalid index group reference(s)
Cannot match 'group "WTZT" ' because no such index group can be found.
My index file contains : Protein_WTZT_DPPC
tc_groups in pull.mdp contains 2 groups: Protein_WTZT_DPPC water_and_ions
Can anyone guide me on this?
Thank you.
Ayaz Anwar
Hi,
the "Protein_WTZT_DPPC" and "WTZT" are two different groups, so include "WTZT" in your index file and rerun the command.
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