Hello! I have been trying to refine the structure of my protein using dipolar coupling constraints using the latest version (2.18) of Xplor-NIH. I downloaded and installed the package for both Linux (CentOS) and Mac (iMac).
When I ran my data files, I found that the output files showed different violations for the same input files in the two OSs. I used the same seed, the same set of dipolar couplings and the same input structure, for refinement. The iMac version shows more violations in the output file vs the one installed in the CentOS system. Has this been seen before? Which output file do I work on? I can mail the input and output files if you want to have a look at it. Thank you so much! With best regards, Maha --- R. Mahalakshmi Postdoctoral Associate Marassi Lab Burnham Institute for Medical Research La Jolla, CA 92037 Ph: 858-646-3100x3724
