<font color="#000000"><font><font face="verdana,sans-serif">Could you paste your .top file and the command your add ions? Maybe the Cl- ion was also added when you added Na+ ion?<br></font></font></font><br><div class="gmail_quote">
On Tue, Jun 12, 2012 at 1:18 PM, tarak karmakar <span dir="ltr"><<a href="mailto:tarak20489@gmail.com" target="_blank">tarak20489@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear All , <br><br>I am facing problem in matching the coordinates number in this two files, em.gro and toplogy.top.<br>I have tried with changing the number of solvents, adding ions (Na+) ....but in vain <br><br><u>Note :: My system has ' -1.00 ' charge .......so I have added one Sodium ion</u><br>
<br>So can anyone please get me out of this trouble ???<br><br style="color:rgb(255,0,0)"><span style="color:rgb(255,0,0)">Fatal error:</span><br style="color:rgb(255,0,0)"><span style="color:rgb(255,0,0)">number of coordinates in coordinate file (em.gro, 64506)</span><br style="color:rgb(255,0,0)">
<span style="color:rgb(255,0,0)"> does not match topology (toplogy.top, 64504)</span><span class="HOEnZb"><font color="#888888"><br clear="all"><br>-- <br><font size="4"><i style="font-family:times new roman,serif"><b>Tarak Karmakar<br>
Molecular Simulation Lab.<br>
Chemistry and Physics of Materials Unit<br>Jawaharlal Nehru Centre for Advanced Scientific Research <br>Jakkur P. O. <br>Bangalore - 560 064<br>Karnataka, INDIA<br>Ph. (lab) : <a href="tel:%2B91-80-22082809" value="+918022082809" target="_blank">+91-80-22082809</a> </b></i></font><br>
</font></span><br>--<br>
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