Re: [gmx-users] number of opposition ions

2009-10-18 Thread Mark Abraham
leila karami wrote: Dear Mark Abraham you said me For neutralization of system and understanding the number of ions with opposition (pr + dna), pdb2gmx or grompp will probably report net charges if non-zero. what file exactly reports net charge? The on-screen output. Do read it - it's us

[gmx-users] number of opposition ions

2009-10-18 Thread leila karami
Dear Mark Abraham you said me For neutralization of system and understanding the number of ions with opposition (pr + dna), pdb2gmx or grompp will probably report net charges if non-zero. what file exactly reports net charge? ___ gmx-users mailing list

Re: [gmx-users] number of opposition ions

2009-10-17 Thread Mark Abraham
leila karami wrote: For neutralization of system (pr + dna), what number of ions with opposition on must be used? How do I understand this number? pdb2gmx or grompp will probably report net charges if non-zero. Mark ___ gmx-users mailing listgmx

[gmx-users] number of opposition ions

2009-10-17 Thread leila karami
For neutralization of system (pr + dna), what number of ions with opposition on must be used? How do I understand this number? ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archi