[gmx-users] Simulation Crashing
feenstra at chem.vu.nl
Wed Aug 20 08:59:05 CEST 2003
Alexandre Suman de Araujo wrote:
> Thank you David for your help. I solved the problem making the timestep
> smaller... I changed it from 1 fs to 0.1 fs and the simulation became stable.
> Thank's for your help.
IMHO, that doesn't sound like a solution... If you need to take 0.1fs
timesteps (2 fs is normal!), there is something *really* wrong in your
system, like David suggested: structure, parameters, temperature, or
possibly your topology.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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