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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>
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Yes, but you will run into differences, such as that below. Get your
admins to update for better performance.<br>
<br>
Mark<br>
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<div>Secondly, when I run this command, I get a fatal error as
below:</div>
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<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>
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<div>Thanks in advance,</div>
<div>Shima<br>
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