<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><span>Thanks for your answer.</span></div><div><br><span></span></div><div><span>Shima</span></div><div><br></div> <div style="font-family: arial, helvetica, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Mark Abraham <Mark.Abraham@anu.edu.au><br> <b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Tuesday, May 1, 2012 1:34 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] A problem with gromacs versions<br> </font> </div> <br>
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On 1/05/2012 6:49 PM, Shima Arasteh wrote:
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<div>Dear gmx users,</div>
<div>I've installed the gromacs version 4.5.5 on my laptop. But
the version of gromacs on the cluster, which I want to run MD,
is 4.0. First of all. is it possible that I use this one?</div>
</div>
</blockquote>
<br>
Yes, but you will run into differences, such as that below. Get your
admins to update for better performance.<br>
<br>
Mark<br>
<br>
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<div>Secondly, when I run this command, I get a fatal error as
below:</div>
<div><br>
</div>
<div># grompp -f md.mdp -c npt.gro -t npt.cpt -p popc.top -o
md.tpr</div>
<div> Fatal error:</div>
<div>Invalid dihedral type 9 <br>
</div>
<div>Is it because of the differences between versions?</div>
<div><br>
</div>
<div>Thanks in advance,</div>
<div>Shima<br>
</div>
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