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

[Mark Abraham]

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.
> Could you please tell me what could be the possible mistake??

Please use a useful subject line. It might be urgent for you, but we 
don't really care... we'd rather be able to use the subject line to 
filter out inquiries that don't interest us or that don't match our 
expertise. You've got several words to interest some random person in 
helping with your problem. Don't waste them!

You should already have started to solve your own problem by looking at 
em.gro for atom 3642.

Also check out 
http://wiki.gromacs.org/index.php/grompp#Parallel_calculations on the 
topic of grompp_mpi

Mark