Budheswar Dehury

3 Questions 10 Answers 0 Followers

Questions related from Budheswar Dehury

How to restart MD without using checkpint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

30 July 2024 3,518 8 View

How to restart MD without using checkpoint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

30 July 2024 5,652 12 View

How do you compute Aqupaorin water permeability using GROMACS MD trajectories?

Dear All, I would like to compute the water permeability of Aquaporins from MD trajectory data? The trajectories are generated using GROMACS? How can I compute the water permeability by the...

04 June 2021 576 6 View