leila karami wrote:
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?
You need to enclose your selection string within ' ' so it is interpreted as a
single string. As it stands, the words resname, SOL, and, etc are being
interpreted as arguments, which they are not.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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