number of atoms

Provide software to generate ensembles of protein structures that are in agreement with low resolution or sparse experimental data.
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Ming Sun
Posts: 1
Joined: Mon Jun 30, 2014 12:48 am

number of atoms

Post by Ming Sun » Sat Jul 05, 2014 9:12 pm

Hi All
I just started learning using Direx and have a naive question. What is the default setting for the max_n_atoms? Usually how much should be increased? DireX recently gave the following message:
Max number of atoms exceeded. Increase max_n_atoms!
Additionally, I did not have this problem for the other run, which has more atoms to deal with.

Thanks again
-Ming

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