Dear gromacs users
My system contains protein and water molecules. I want to use g_select to obtain residue number of water molecules being within 0.35 nm of protein. My index file is as follows: [ Protein ] [SOL] When I use g_select -f *.xtc -s *.tpr -n index.ndx -oi -select "Close to Protein" resname SOL and within 0.35 of group Protein I encountered : Program g_select, VERSION 4.5.1 Source code file: statutil.c, line: 819 Invalid command line argument: SOL Why? How to fix it? Any help will highly appreciated.
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