[gmx-users] error in oscillation period
Mark.Abraham at anu.edu.au
Mon Mar 26 05:52:30 CEST 2012
On 26/03/2012 2:02 PM, mohan maruthi sena wrote:
> Hello everyone,
> I am getting the following error when i
> execute grompp command ,can anyone please explain me why this error
> *NOTE 2 [file ile.top, line 2986]:
> The bond in molecule-type Protein_chain_I between atoms 22 N and 23 HN
> has an estimated oscillational period of 1.0e-02 ps, which is less than
> 10 times the time step of 2.0e-03 ps.
> Maybe you forgot to change the constraints mdp option.
It's self-explanatory if you understand the ideas in 6.5 of the manual.
In the absence of information about your .mdp file and the indicated
bond distance, there's nothing else to be said.
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