4 Dec
2019
4 Dec
'19
12:39 p.m.
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