Dear Xplor-NIH users,
Happy New Year. I am wondering if anyone would be willing to share an .inp (or procedure) that will rank the energies of structures generated during an SA run? I would like to find the lowest energy structures for conformational analysis. Apologies if this is already somewhere in the distribution. Thank you in advance, Russell
_______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
