[gmx-users] g_select problem (Invalid command line argument:)

leila karami karami.leila1 at gmail.com
Wed Mar 7 16:43:43 CET 2012


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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