[EMAIL PROTECTED] 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
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