[gmx-users] Gromacs error message

[Sanku M]

Did you create/have any .mdp file called 'minim.mdp' . The grompp is looking for the run parameter file and not finding it as you may not have created one.



________________________________
From: Salvatore Guccione <guccione at unict.it>
To: gmx-users at gromacs.org
Sent: Saturday, November 5, 2011 2:33 PM
Subject: [gmx-users] Gromacs error  message

The below steps were followed to perform the  simulation:
1st) a topology file was generated
(<http://www.psc.edu/general/software/packages/gromacs/online/top.html>.top)
from the pdb-file (.pdb) by the pdb2gmx program;2nd)  the complex was solvated
using the programs editconf and genbox.
Finally the ions were added by the preprocessing grompp (command: grompp -f
minim.mdp -c solv.gro -p topol.top -o ions.tpr)but  the below error message was displaied:
Program grompp, VERSION 4.5.3
Source code file: futil.c, line: 491
File input/output error:
minim.mdp
Thanks in advance for any your help.
Look forward to hearing from you.


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