[gmx-users] Usage of new features in 4.5.1

[Roland Schulz]

On Thu, Sep 30, 2010 at 12:31 PM, Francesco Oteri <francesco.oteri at gmail.com
> wrote:

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

Glad that it works. But odd that you had to recompile. configure/cmake
should have automatically figured out that it requires "-ldl". Could you
send me your config.log (if you use configure) or your  CMakeCache.txt (if
you use cmake) of the gromacs versin without "-L/usr/lib -ldl"? Then I can
check why it didn't work automatically.

Roland

>
>
>
> 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> 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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>
>
>
> --
> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
> 865-241-1537, ORNL PO BOX 2008 MS6309
>
>
>
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-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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