Dear users, I am trying to calculate the dielectric constant of water within a certain distance of protein.
For this I have generated an ordered trajectory using trjorder. Then I have created an index group for an estimated number of water molecules (average of the numbers in nshell.xvg generated from trjorder). Thereafter, I have used the g_dipoles program along with the flag -eps to get dielectric constant. But the results are incorrect, as I am expecting the dielectric constant to be greater than 40 or so, but it is showing ~3.5. What am I doing wrong? Any help would be highly appreciated. Thanks and regards, Saumyak -- ================================ *Saumyak Mukherjee* Junior Research Fellow Prof. Biman Bagchi's Group Solid State and Structural Chemistry Unit Indian Institute of Science Bangalore - 560012 Mob : 8017292426 Alternative e-mail : saumyakmukher...@gmail.com smukher...@sscu.iisc.ernet.in ================================ -- 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.