On Mon, Aug 07, 2017, Aishwarya Venkatramani wrote:
> When I run the script again with the change oldff/leaprc.ff02pol.r1
>
> ff02 is loaded correctly, but I get this error:
>
> Could not open file all_nucleic02.lib: not found
> Could not open database: all_nucleic02.lib
> Could not open file all_amino02.r1.lib: not found
> Could not open database: all_amino02.r1.lib
> Could not open file all_aminoct02.lib: not found
> Could not open database: all_aminoct02.lib
> Could not open file all_aminont02.lib: not found
> Could not open database: all_aminont02.lib
>
>
> When I look at $AMBERHOME/dat/leap/lib these library files are
> not present. Will I have to load them from somewhere else?
They are all in $AMBERHOME/dat/leap/lib/oldff. You'll have to modify
the learpc.ff02pol.r1 file to reflect this.
...dac
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Received on Mon Aug 07 2017 - 13:00:03 PDT
