On 10/29/17 1:01 AM, Vidya R wrote:
Hi gmx users, I want to consider one organic molecule of solute dissolved in several molecules of water. How to fix molar concentrations in gromacs ? ( say 0.1 M )
M = mol/L. If you know the volume of your system, you can easily compute how many molecules of a given species need to be in that volume to achieve a certain molarity.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- 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.
