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Bug #2427

gmx select gives syntax error for selection involving evaluating simple arithmetic expression

Added by Viveca Lindahl over 1 year ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
selections
Target version:
-
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

gmx_debug select -s topol.tpr -select "n=1+1; resid n" -on selected.ndx

has output:

[...]
Program: gmx select, version 2018.1-dev-20180227-8223d56
Source file: src/gromacs/commandline/cmdlineparser.cpp (line 276)
Function: void gmx::CommandLineParser::parse(int*, char**)

Error in user input:
Invalid command-line options
In command-line option -select
Invalid selection 'resid n'
Near 'n'
syntax error
[...]

I'm assuming this should not be a syntax error. Replacing "n=1+1" in the selection string by n=2 doesn't give rise to an error.

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