On 12/29/14 11:08 AM, elham tazikeh wrote:
Dear GMX users i d like to know about pdb information for instance, when i defined concentration of an ion by genion (-conc), gromacs added ion(s) to my structure Now, my question is: in a pdb e.g. (1ZE9: Amyloid beta peptide+Zn+2), there is only one cation in pdb file i want to know about its concentration? my mean is one Zn+2 ion equal *what concentration*? regards
Think back to general chemistry. Without a defined volume, you can't define concentration...
-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.
