[gmx-users] gmx bins from a box to another

Alan Wilter Sousa da Silva alan at lncc.br
Mon Dec 6 13:09:11 CET 2004

Dear Prof. van der Spoel,
Once again about:
> Might be dynamic libraries. What's the error?

I did a gmx compilation (intel 8.1 with -O3 -static-libcxa) to my home dir
and tried to export it to our Opteron Cluster (which I'm not its
administrator).  However, there, my HOME=/people/ufrj_biof/alan instead
/home/alan (at my local box).

So, even changing GMXRC files, trying to run grompp I got that:

calling /lib/cpp...
topol.top:347:19: spc.itp: Arquivo ou diretório não encontrado
cpp exit code: 256
Tried to execute: '/lib/cpp  -I/home/alan/gromacs/top  topol.top >
The '/lib/cpp' command is defined in the .mdp file
processing topology...
Fatal error: No such moleculetype SOL

So, I would appreciate any tip here.
Thanks in advance,
Alan Wilter Sousa da Silva
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil

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