[gmx-users] g_dipoles and fluctuation of the total dipole moment

Hello, I want to use g_dipoles to calculate the dielectric constant epsilon of peptides. The peptides contain between 20 and 40 Aminoacids and are solvated in dodecahedron water box. How can I define the -mu option in a system with a water solvated peptid? How is the total dipole moment calculated

Re: [gmx-users] g_dipoles and fluctuation of the total dipolemoment

a peptide without water? Thanks again for your help, Guido > Guido Humpert wrote: > > Hello, > > > > I want to use g_dipoles to calculate the dielectric constant epsilon of > > peptides. The peptides contain between 20 and 40 Aminoacids and are > > solvated in dodec