Re: [IMP-users] Error in Conjugate Gradient Optimization

[Ben Webb <ben@salilab.org>]

On 12/4/19 1:13 AM, Altair Hernández Chinchilla wrote:
> I am currently using IMP to generate several models in which I apply a 
> set of 62 restraints, plus ExcludeVolume (I work with XYZR sphere 
> decorators). When I try to run the script 1000 times in order to 
> generate 1000 different models, it work. However, when I try to run it 
> 50.000 times, it came up with an error:
...
> _IMP_kernel.ModelException: Failure in ConjugateGradients
CG will occasionally fail if your starting structure is particularly 
bad. This is perfectly normal.
	Ben
--
ben@salilab.org                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle