High RMSD fluctuations

User discussions
1

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image906×734 7.3 KB

Hi all
Why is my RMSD graph coming out like this? Thank you.

2

Hi, Based on the results you have provided, the initial guess might be the PBC issue. I recommend visually inspecting your system using VMD to get a better understanding. If it is PBC issue you can fix it by GROMACS 3-step workflow .

3

Hi thank you. I will do so.