Thank you Ben!
Is there an option to keep running the script even if this error comes up? I mean, to discard this particular bad structure, but keep trying with further structures until the last iteration (e.g 50.000)?
Thanks, Altair
On Wed, 4 Dec 2019 at 21:39, Ben Webb ben@salilab.org wrote:
> 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 >