On 7/23/14, 5:18 PM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
Hi Dear Gromacs Users, I have a doubt , if i need a electrolyte concentration of 150mM of ions of NA and CL the right comand is genion -s file.tpr -o topol.top -nname CL -pname NA -neutral -conc 0.150 -o out.gro ?
Yes. You can confirm the outcome with simple calculations from general chemistry. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 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.
