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
arises,
*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.
Mark
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