Hi Dear Gromacs Users, i would like to ask you something, My system consist of an ion channel , and a drug molecule, i´m preparing a umbrella simulation, to study the PME between the protein and the molecule, so , i´ve been reading papers, and some of them just add ions to neutralize the system, but other just use a concentration of KCL ,
What do you think is the best option for me(considering my system), and how is the effect to add a concentration of ions, is it cause more computation ? thanks in advance Andres -- View this message in context: http://gromacs.5086.x6.nabble.com/Neutralize-or-add-an-Ions-Concentration-for-a-Membrane-Simulation-tp5015028.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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 [email protected].
