Dear All,I am intending to simulate the pure ethanol box. I considered density of natural ethanol (789 kg / m3) and generate a box of pure ethanol using gmx genconf. after ending MD production, with NPT ensemble and P = 1 bar and T = 298, I have encountered a strange behavior, The average density value of system is about 1610 kg /m3!!!. the box size is changed and is smaller than starting box and nvt box. Mohsen -- 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.