[gmx-users] g-select failed

Albert mailmd2011 at gmail.com
Mon Sep 8 15:48:42 CEST 2014


I am trying to make two groups for my lipids sytem by g_select with 
command line:

g_select_mpi -sf select.dat -f em.gro

here is the content of select.dat:


but it failed with messages:

Program:     gmx select, VERSION 5.0.1
Source file: src/gromacs/commandline/cmdlineparser.cpp (line 232)
Function:    void gmx::CommandLineParser::parse(int*, char**)
Error in user input:
Invalid command-line options
   In command-line option -sf
     Error in adding selections from file 'select.dat'
       Too few selections provided

thank you very much.


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