[gmx-users] Help needed urgently...!!!

[Xavier Periole]

On Tue, 6 May 2008 11:07:11 +0530 (IST)
  namita at ncbs.res.in wrote:
> Dear members
> 
> I am working on simulation of certain models of protein myosin. When I use
> the grompp_mpi (for position restraint), it gives me an error message as
> "Fatal error: Invalid line in em.gro for atom 3642:" and the program is
> aborted.
-check the number of atoms (second line in the em.gro file), should match
with the number of atoms in the em.gro.
-check your topology file (topol.top) in that it should describe what
is in em.gro.
> Could you please tell me what could be the possible mistake??
> Waiting for your reply...
> 
> Thanks
> Namitha
> 
> 
> 
> 
> 
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-----------------------------------------------------
XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
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