[gmx-users] fudge QQ values

Hello everyone, I just have a quick question. So the fudgeQQ value for amber99sb force field in gromacs is 0.8333, but I wonder if we should use 0.83 or 0.8333? I quite different simulation results by manipulating this value. In my antibody - ligand system, 0.8333 showed ligand not

Re: [gmx-users] fudge QQ values

Yun Shi wrote: Hello everyone, I just have a quick question. So the fudgeQQ value for amber99sb force field in gromacs is 0.8333, but I wonder if we should use 0.83 or 0.8333? I quite different simulation results by manipulating this value. In my antibody - ligand system, 0.8333