[gmx-users] Membrane protein MD Simulation
Mark.Abraham at anu.edu.au
Sun Dec 16 11:58:24 CET 2007
Behnoush Zare wrote:
> Dear Mark,
> Sorry about that mistake, the popc.itp file is began with these 3 lines:
> ;[ moleculetype ]
This is a comment before a directive that tells grompp that this is
going to be a new molecule type. Hence, it thinks it's in the old one,
and that this should be part of the preceding "[ dihedrals ]" section.
> ; Name nrexcl
> POPC 3
> the error is:
> ERROR 1 [file "popc.itp", line 3]:
> Incorrect number of atomtypes for dihedral (1 instead of 2 or 4)
> Fatal error:
> Bonded/nonbonded atom type '1' not found!
> What is the relation between nrexcl and that fatal error?
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