Re: [gmx-users] pH and protein

On 7/12/12 1:42 AM, tarak karmakar wrote: Dear All, I am simulating a protein in gromacs with amber force field. The protein shows maximum biological activity at pH 5.0 and at pH 7.4 it shows no activity. So whichever biological process I am going to model should be at the biologically active

[gmx-users] pH and protein

Dear All, I am simulating a protein in gromacs with amber force field. The protein shows maximum biological activity at pH 5.0 and at pH 7.4 it shows no activity. So whichever biological process I am going to model should be at the biologically active pH . So can anyone suggest me 1) how to get