[gmx-users] about CNT simulation

[Justin Lemkul]

> "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
locations.

-Justin


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