Re: [gmx-users] dipole moment of a charged peptide

2011-04-01 Thread Dommert Florian
On Fri, 2011-04-01 at 09:48 +0200, Erik Marklund wrote: > Dommert Florian skrev 2011-04-01 09.45: > > On Thu, 2011-03-31 at 18:03 -0700, Sanku M wrote: > >> Hi, > >> I have a long-chain peptide which has a net charge of +5 . I was > >> wondering whether the g_dipole will give any reasonable d

Re: [gmx-users] dipole moment of a charged peptide

2011-04-01 Thread Erik Marklund
Dommert Florian skrev 2011-04-01 09.45: On Thu, 2011-03-31 at 18:03 -0700, Sanku M wrote: Hi, I have a long-chain peptide which has a net charge of +5 . I was wondering whether the g_dipole will give any reasonable dipole moment for a molecule with a net charge. Is there any suggestion I sh

Re: [gmx-users] dipole moment of a charged peptide

2011-04-01 Thread Dommert Florian
On Thu, 2011-03-31 at 18:03 -0700, Sanku M wrote: > Hi, >I have a long-chain peptide which has a net charge of +5 . I was > wondering whether the g_dipole will give any reasonable dipole moment > for a molecule with a net charge. Is there any suggestion I should > follow regarding calculation

[gmx-users] dipole moment of a charged peptide

2011-03-31 Thread Sanku M
Hi, I have a long-chain peptide which has a net charge of +5 . I was wondering whether the g_dipole will give any reasonable dipole moment for a molecule with a net charge. Is there any suggestion I should follow regarding calculation of dipole-moment of a charged molecule . I found that in