On Sat, Apr 29, 2017, Jacopo Sgrignani wrote:
>
> I compiled ambertools17 and tried to run a calculation with dftb3,
> I specified qm_theory = dftb3 or DFTB3 but always I get this error.
>
> Cannot match namelist object name dbtb3verbosity
> namelist read: misplaced = sign
Try putting quotes around the dftb3, and a comma afterward, e.g.
qm_theory='dftb3',
Look carefully at the rest of the namelist: getting a "misplaced = sign"
error suggests that the code is having difficulty reading your input file.
Make sure you have commas after variables, and don't have DOS line endings.
Note that the program is merging dftb3 with verbosity: see if you can figure
our why that is happening.
The error messages are reasonably informative, so experiment to see if you can
satisfy the format requirements. If you still have problems, post the mdin
file you are using.
....dac
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Received on Sat Apr 29 2017 - 15:00:02 PDT
