Bug with electric field simulation using gromacs2020
I’m trying to run EF simulation of membrane channels using -1V with gromacs2020.1 but as soon as the simulation starts a pore is formed in the membrane and then the box is becoming completely compressed. Moreover, the simulation continue without giving any errors. The only way to avoid this issue is to considerably reduce the voltage. But this is not a real solution because people in our group need to run simulations with high EF…
I tried different systems on different supercomputers and I always got the same issue. Doing the same simulation with the same mdp file with gromacs2019 does not lead to this issue.
Has anything changed in gromacs2020 for EF simulations? Does anyone notice the same issue? Is there a solution for it unless using gromacs2019?
Thanks in advance for your help. Best, Ahmad