GROMACS version: 2022.4
Hi,
I am working with a GPCR system embedded in lipid bilayer and water. I want to select every water (group 31 in index file) that is situated below 4A from a particular residue of the protein (group 43), so the command has been used as I have seen being used in earlier queries:
gmx select -f input.xtc -s input.tpr -n input.ndx -select ‘group 31 and within 0.4 of group 43’ -on output.ndx
But I get multiple syntax errors:
Error in user input:
Invalid command-line options
In command-line option -select
Invalid selection ‘and’
Near ‘and’
syntax error
In command-line option -select
Invalid selection ‘within’
While parsing ‘within’
‘within’ should be followed by a value/expression
‘of’ is missing
In command-line option -select
Invalid selection ‘0.4’
Near ‘0.4’
syntax error
In command-line option -select
Invalid selection ‘group’
Near ‘group’
syntax error
In command-line option -select
Near ‘�’
syntax error
Where am I going wrong? I have tried few other combinations too, but those were also followed up similar syntax errors? Thanks in advance