Budheswar Dehury

2 Questions 7 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 3,027 8 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 479 6 View