[gmx-users] Simulation Crashing
Anton Feenstra
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.
--
Groetjes,
Anton
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" |
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