Thanks Prof. Case. That helps, and makes sense to move onto FF12.
I was attempting to use parameters that matched a previous literature report, which is why I stuck to FF10.
Best,
Jesper
On Mar 7, 2014, at 4:47 PM, Sorensen, Jesper <jesorensen.ucsd.edu> wrote:
> Hi All,
>
> I am getting an errors in tleap when I load the built-in libraries for ff10. I am running the latest version of both Amber and AmberTools.
>
> Does phosphoaa10.lib not come with the installation? And if it doesn't why is it specified to load here?
> It seems from an earlier issue posted that the file should be present:
> http://archive.ambermd.org/201210/0619.html
> Were these parameters retracted for some reason?
>
> Best regards,
> Jesper
>
> Error log:
> tleap
> source leaprc.ff10
> ----- Source: /soft/amber/latest/dat/leap/cmd/leaprc.ff10
> ----- Source of /soft/amber/latest/dat/leap/cmd/leaprc.ff10 done
> Log file: ./leap.log
> Loading parameters: /soft/amber/latest/dat/leap/parm/parm10.dat
> Reading title:
> PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
> Loading library: /soft/amber/latest/dat/leap/lib/amino10.lib
> Loading library: /soft/amber/latest/dat/leap/lib/aminoct10.lib
> Loading library: /soft/amber/latest/dat/leap/lib/aminont10.lib
> Could not open file phosphoaa10.lib: not found
> Could not open database: phosphoaa10.lib
> Loading library: /soft/amber/latest/dat/leap/lib/nucleic10.lib
> Loading library: /soft/amber/latest/dat/leap/lib/ions08.lib
> Loading library: /soft/amber/latest/dat/leap/lib/solvents.lib
>
>
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Received on Sat Mar 08 2014 - 11:00:07 PST
