> Dear gmx users, > > I built POPE+POPG (total 128 lipid molecules) > lipid bilayer in 3:1 ratio. POPE has neutral charge > and POPG has one unit of negative charge.To this lipid > molecules 3941 water molecules are added. > While creating bilayer.tpr file, it is giving non-zero > total charge: -4.534399e+01 related information was > shown below.
This suggests your [molecule] definitions for these POPE and POPG don't agree with what you think they should be :-) Check the totals of their charges. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
