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

OuyangYanhua 15901283893 at 163.com
Tue Jun 21 04:14:01 CEST 2016


Thank you for your recommend.
> 在 2016年6月20日,下午10:22,Mark Abraham <mark.j.abraham at gmail.com> 写道:
> 
> 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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