<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>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.</div><div><br></div><div><br></div><div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif; "><div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif; "><font size="2" face="Arial"><hr size="1"><b><span style="font-weight:bold;">From:</span></b> Salvatore Guccione <guccione@unict.it><br><b><span style="font-weight: bold;">To:</span></b> gmx-users@gromacs.org<br><b><span style="font-weight: bold;">Sent:</span></b> Saturday, November 5, 2011 2:33 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [gmx-users] Gromacs error message<br></font><br>
The below steps were followed to perform the simulation:<br>1st) a topology file was generated<br>(<<a href="http://www.psc.edu/general/software/packages/gromacs/online/top.html" target="_blank">http://www.psc.edu/general/software/packages/gromacs/online/top.html</a>>.top)<br>from the pdb-file (.pdb) by the pdb2gmx program;2nd) the complex was solvated<br>using the programs editconf and genbox.<br>Finally the ions were added by the preprocessing grompp (command: grompp -f<br>minim.mdp -c solv.gro -p topol.top -o ions.tpr)but the below error message was displaied:<br>Program grompp, VERSION 4.5.3<br>Source code file: futil.c, line: 491<br>File input/output error:<br>minim.mdp<br>Thanks in advance for any your help.<br>Look forward to hearing from you.<br><br><br>----------------------------------------------------------------<br>Universita' di Catania - A.P.Se.Ma.<br>Servizio di Posta Elettronica<br><br><br>--gmx-users mailing
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