4 Jun
2013
4 Jun
'13
11:15 p.m.
On 06/03/2013 10:56 PM, Arjun Ray wrote: > I am trying to mutate to ARG26 and getting the following error: > > randomi_498_> Atoms,selected atoms,random_seed,amplitude: 2031 > 11 1 4.0000 > randomi_496_> Amplitude is > 0; randomization is done. > check_inf__E> Atom 206 has out-of-range coordinates (usually infinity). > The objective function can thus not be calculated.
This typically happens when huge forces on your system cause it to become unstable. This can sometimes happen if you have a very bad starting geometry. I can't tell anything further without seeing your input files.
Ben Webb, Modeller Caretaker
--
modeller-care@salilab.org http://www.salilab.org/modeller/
Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage