[gmx-users] Gromacs force field with phosphorylated residues modeled

Zhiguo Liu zgliu at iris3.simm.ac.cn
Fri Mar 12 10:01:01 CET 2004

Dear gmx-users ,
     Does anybody know whether there is such stuff? I want to model phosphorylated residues
in my work. ffG43a1p force field seems to be able to do such thing, but it's based on Gromos96. Since my system is a complex of protein and small molecule, I need the top file of small molecule as well. To my knowledge, there is no convinient way to make Gromos96 top file of small molecule.(Pardon me if I'm wrong). Of cource, compiling it by hand maybe work, but that would drive me mad. 
     So, a Gromacs87 force field with  phosphorylated residues modeled, or a convinient way to make GROMOS96 top file, are both welcome. Wish sb. could contribute to the two work.
Best Regard!
                                 Zhiguo Liu
                                 Chinese Academy of Science
                                 zgliu at iris3.simm.ac.cn

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