[gmx-users] about CNT simulation

Justin Lemkul jalemkul at vt.edu
Thu May 31 18:47:46 CEST 2007

> "Fatal error:
> Invalid order for directive defaults, file ""ffamber99.itp"", line 4".

This means you've specified an incorrect directory in your .mdp file.  Check the
'include' line in your .mdp file and make sure it specifies a directory where
ffamber99.itp exists.  By default, Gromacs searches the /gromacs/share/top
directory, the current working directory, and any directory specified by the
'include' statement.  Check to see if ffamber99.itp is in one of those


Justin A. Lemkul
Alpha Chi Sigma, AI '04
Virginia Tech

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