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

OuyangYanhua 15901283893 at 163.com
Sun Jun 19 10:05:23 CEST 2016


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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