Dear All,
I am trying to simulate a ionic liquid-platinum surface system on gromacs. However, during the energy minimization, it shows to many LINCS warning during the execution and the execution stops showing potential energy as infinity and very high forces. I am using a 10*10*1 Platinum surfce with one ion pair of ionic liquid (1-butyl-3-methyl imidazolium tetraflouroborate). Kindly help me on this.
It looks like you have an unstable system. Without looking at your system is hard to say what is the issue. The minimization output tells you which particles are suffering the highest forces, look at your system and try to understand why those specific particles are suffering such forces. With such high forces and potential energy, it could be that some particles are overlapped.
- Badges
- Science topic