[gmx-users] File 'urea.gro' does not exist or is not accessible.

Divya Dube divyadube at gmail.com
Wed Apr 6 12:47:24 CEST 2016


Dear All,
While using command for urea based simulation
'gmx insert-molecules -f protein_box.gro -ci urea.gro -nmol 6065 -o
protein_sol.gro -p topol.top'


Following error is prompted

Error in user input:
Invalid command-line options
  In command-line option -ci
    File 'urea.gro' does not exist or is not accessible.
    Unknown command-line option -p
--------------------------------------------
Program:     gmx insert-molecules, VERSION 5.1.1
Source file: src/gromacs/commandline/cmdlineparser.cpp (line 234)
Function:    void gmx::CommandLineParser::parse(int*, char**)

Error in user input:
Invalid command-line options
  In command-line option -ci
    File 'urea.gro' does not exist or is not accessible.
    Unknown command-line option -p

Question: Where I can find this urea.gro file?

regds
DD

-- 
Dr. Divya Dube
Sr. Research Associate
Dept. of Biophysics
All India Institute of Medical Sciences
New Delhi
India


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