On 5/27/15 9:41 AM, Vy Phan wrote:
Dear Gromacs Users, I want to simulate the protein s-glutathionylation. The problem is how to build the topologies for glutathione ([image: $\gamma$]-Glu-Cys-Gly). Could someone give me some suggestion and experiences?
This should be simple to piece together from existing building blocks, but the particular details depend on the force field you're using. That's a key component to the process.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
