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 -- http://www.salilab.org/modeller/ Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage