Dear Charles and Other Users, I used Xplor-NIH 2.39 and Xplor-NIH 2.43 for calculations. When I submitted my structures for PSVS and MolProbity evaluations, the reported vdw violations was much worse for Xplor-NIH 2.43 than for Xplor-NIH 2.39. I assume this is due to the different atom radii used in the two versions of Xplor-NIH. Would you have any suggestion on how to deal with the violations here? Should I go back to version 2.39 for furture calculations? I have not check if the version 2.44 has the same problem. Thank you very much for any comment.
Best regards, Qi
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