Re: [AMBER] simulation phosphorylated complex of protein

From: David A Case <>
Date: Tue, 30 Jun 2015 12:11:52 -0400

On Tue, Jun 30, 2015, Ziba Bahadori wrote:

> Hi every oneI am trying simulation phosphorylated complex of
> protein(espacialy serin/theronin residue) but I dont know which force
> field of amber I should usewhich force field of amber I should use for
> my simulation?thanks for your guidence

We recommend you use ff14SB (use the leaprc.ff14SB file); you will also
need to source the leaprc.phosaa10 file (in tleap) to load the parameters
for phosphorylated amino acids.

...good luck....dac

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Received on Tue Jun 30 2015 - 09:30:02 PDT
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