On Tue, 6 May 2008 11:07:11 +0530 (IST)
[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.
-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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