[gmx-users] converting the frcmod file and off file to gromacs

[Mark Abraham]

Hi,

It sounds like what you want to look for is the documentation for those
file formats.

Mark

On Sun, 19 Jun 2016 10:05 OuyangYanhua <15901283893 at 163.com> wrote:

> Hi,
> I am simulating a protein phosphorylated on Ser and Thr residues using
> AMBER99SB-ILDN ff with Gromacs 5.0. I read the paper that I can use the
> phophorylation parameters in the
> http://sites.pharmacy.manchester.ac.uk/bryce/amber <
> http://sites.pharmacy.manchester.ac.uk/bryce/amber> . However it is
> difficult for me to read the parameters and statistics in the frcmod and
> off files. So I have trouble in converting the statistics in framod files
> and off file to gromacs files, such as .rtp, ffbond.itp.
>
> Best regards,
> Ouyang
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