Sorry `Conf*.oout` is correct to be `Conf*.out`, I was inattentive while writing this message, that's not the problem, it is something else
> On 19 Nov 2020, at 17:44, h.jolon.icloud.com wrote:
>
> Hi, I try to reproduce mdgx tutorial 2.7 Deriving bonded parameters with mdgx <https://ambermd.org/tutorials/advanced/tutorial32/index.php>, I've already generated ORCA input files and also computed them, but when I try to "grep" with following command
>
>> $ mdgx -i 2-extract.mdgx
>
> where 2-extract.mdgx is
>
>> &files
>> -p Glycerol_vac.top
>> -o concat.out
>> -d energies.dat
>> -x coords.cdf
>> &end
>> &speval
>> data Conf*.oout
>> &end
>
> in Terminal I see
>
>> Ascii2Mem >> Error. File .Conf236.out not found!
>> Ascii2Mem >> File not found
>
>
> First, I used AmberTools 18 on macOS Big Sur (compiled previously by myself on macOS Catalina) and then I've got AmberTools 20 from conda. I can see the same behavior on these 2 distributions of AmberTools. When I cp directory into a Linux cluster and run this command it works fine. So, is it Ambers's bug or Big Sur's? Or maybe I overlook some things?
>
> Thank you for any help
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Received on Thu Nov 19 2020 - 07:00:03 PST
