[gmx-users] A problem with gromacs versions

[Mark Abraham]

On 1/05/2012 6:49 PM, Shima Arasteh wrote:
> Dear gmx users,
> 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?

Yes, but you will run into differences, such as that below. Get your 
admins to update for better performance.

Mark

> Secondly, when I run this command, I get a fatal error as below:
>
> # grompp -f md.mdp -c npt.gro -t npt.cpt -p popc.top -o md.tpr
>  Fatal error:
> Invalid dihedral type 9
> Is it because of the differences between versions?
>
> Thanks in advance,
> Shima
>
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120501/f292fb73/attachment.html>