[gmx-users] Usage of new features in 4.5.1

Francesco Oteri francesco.oteri at gmail.com
Thu Sep 30 18:31:17 CEST 2010


Problem solved,
I've recompiled gromacs with option adding "-L/usr/lib -ldl" and after 
setting the VMD_PLUGIN_PATH environment variable
gromacs works.



On 30/09/2010 16:03, Roland Schulz wrote:
> Hi,
>
> Do you get any other messages before that last message? It might tell 
> you that you have to set the VMD_PLUGIN_PATH.
>
> GROMACS has to be compiled with dlopen support for this to work. Did 
> you compile with cmake or configure? Could you please look into the 
> config.h and see whether GMX_DLOPEN is set?
>
> Roland
>
> On Thu, Sep 30, 2010 at 9:30 AM, Francesco Oteri 
> <francesco.oteri at gmail.com <mailto:francesco.oteri at gmail.com>> wrote:
>
>     Dear all,
>     I would like to know how to analyze dcd trajectory in gromacs.
>     I successfully installed gromacs, but if I use
>
>
>     trjconv -f neck.dcd -s ../neck_model.pdb  -o next.xtc
>
>     I obtain the following error:
>
>
>     Fatal error:
>     Not supported in read_first_frame: neck.dcd
>
>
>
>     Any suggestion?
>
>     --
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