On Mon, Jul 08, 2013, Neha Gandhi wrote:
>
> Could anyone point me to the differences between ff10 and ff12SB force
> fields in AMBER? Apologies for my ignorance. Does ff12SB incldue topologies
> for phosphorylated amino acids or I have use ff10?
Please see Table 2.1 and Section 2.2 of the AmberTools12 manual. In the
distributed version, only leaprc.ff10 loads the phosphorylated amino acids.
If you want to use ff12SB with phosphorylated amino acids, please see
$AMBERHOME/dat/leap/lib/phosaa10.readme
Follow the instructions there, but replace the reference to leaprc.ff10
with leaprc.ff12SB.
...dac
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Received on Mon Jul 08 2013 - 13:30:02 PDT
