On Sat, Mar 08, 2014, Sorensen, Jesper wrote:
>
> 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?
With the release of AmberTools13, we changed the nomenclature slightly: if
you want the phosphorylated amino acids loaded, you should include
"source leaprc.phosaa10" in your leap.in file.
Unfortunately, we neglected to fix leaprc.ff10 (mainly because the developers
all moved on to using leaprc.ff12SB, which is what we recommend to everyone.)
...hope this helps...dac
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Received on Sat Mar 08 2014 - 06:30:03 PST
