User force field with FEP?

From: Randy J. Zauhar (r.zauhar_at_usciences.edu)
Date: Tue Dec 11 2018 - 13:27:00 CST

Do usee-defined force field elements, in particular the 'grid-steered’ option, work with alchemical free energy perturbation?

Thanks!

Randy

Randy J. Zauhar, PhD

Prof. of Biochemistry

Dept. of Chemistry & Biochemistry
University of the Sciences in Philadelphia
600 S. 43rd Street
Philadelphia, PA 19104

Phone: (215)596-8691
FAX: (215)596-8543
E-mail: r.zauhar_at_usciences.edu<mailto:r.zauhar_at_usciences.edu>



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