[gmx-users] phosphorylated protein parametrization

R C Dash rcdash0910 at gmail.com
Thu Dec 7 18:42:06 CET 2017


Hi,
 Which force field you want to use for parameterisation ?

On Thu, Dec 7, 2017 at 12:00 PM, <zeljko.svedruzic at biotech.uniri.hr> wrote:

> Hi folks,
> what do I need to do to run pdb2gmx with a protein pdb file that contains
> phosphorylated THR labeled as THP? I see several solutions but no of them
> look elegant. Does anybody have any experience with this,
> Thanks for any advice,
> Cheers,
> www.svedruziclab.com
>
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