[gmx-users] phosphorylated residues simulation usinh gromacs

Benson Muite benson.muite at ut.ee
Tue Oct 23 11:11:01 CEST 2018


Following may be helpful:




On 10/23/18 11:52 AM, farial tavakoli wrote:
> Dear GMX users
> I need to simulate the complex composed of a protein and a peptide which has phosphotyrosine using AMBER99SB force field in GROMACS. cited to the " https://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/index.html " to download .OFF and .FRCMOD files of phosphotyrosine. but now I dont know how to use these files in GROMACS. There is no AMBER tutorial in gromacs . I searched google to find that but couldnt find stage by stage guides. Is there anyone can help me how I should use these files in GROMACS?I am sorry because of my english.
> Thanks in advanceFarial

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