Re: [IMP-users] Error in Conjugate Gradient Optimization
To: Help and discussion for users of IMP <>, Altair Hernández Chinchilla <>
Subject: Re: [IMP-users] Error in Conjugate Gradient Optimization
From: Ben Webb <>
Date: Wed, 4 Dec 2019 12:39:55 -0800
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
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle