Thank you Prof.
Yes Unfortunately it does not show the error but the error is persisting
even after commenting the line as earlier advised in the make file. has it
got to do with the incompatibility of Ubuntu 20 and Amber 18?
Yes we are thinking of it and are looking for grant support.
Thank you again for your advice
Best regards
Ayesha
On Thu, Nov 25, 2021 at 5:09 PM David A Case <david.case.rutgers.edu> wrote:
> On Thu, Nov 25, 2021, Ayesha Fatima wrote:
>
> >Thank you for your response. I am using AMBER 18 with the configure file
> >I made the log file which i am attaching. I commented out the
> >packmol_memgen line in AmberTools/src/MakeFile. but the error is still
> >persisting. I have also not seen the error before. Previously I was using
> >Ubuntu 18 with no issues.
>
> The log file you post doesn't show any errors, and still shows
> packmol_memgen being processed. It's unclear whether your logfile was
> created before or after you commented out the packmol_memgen line. Were
> there additional error messages that showed up on the screen that are not
> in
> the log file?
>
> But since the "error persists" (is it *exactly* the same error?) my idea
> for
> modifying the Makefile seems to be insufficient.
>
> Maybe Stephan or someone else on the list will have ideas here. You could
> consider getting AmberTools21 to see if you encounter the same problem.
>
> ....dac
>
>
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Received on Thu Nov 25 2021 - 06:30:03 PST