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I noticed that on my system the gfnff force field initialization in v6.7.1 is quite slow compared to v6.6.1. Is there a fundamental reason for this (e.g. more robust algorithm), or is something wrong with my installation? In particular, the EEQ step for a large protein (~6000 atoms) used to be almost instant, now it takes around 5-10 minutes. Any insight would be greatly appreciated!
The text was updated successfully, but these errors were encountered:
I noticed that on my system the gfnff force field initialization in v6.7.1 is quite slow compared to v6.6.1. Is there a fundamental reason for this (e.g. more robust algorithm), or is something wrong with my installation? In particular, the EEQ step for a large protein (~6000 atoms) used to be almost instant, now it takes around 5-10 minutes. Any insight would be greatly appreciated!
The text was updated successfully, but these errors were encountered: