[gmx-users] Re: Calculating the dipole moment vectors of functional groups

[Andrew DeYoung]

Hi again,

I forgot to mention that the functional groups that I will consider have
overall no net charge.  I gave the hydroxyl group as a prototypical example
in my last post, but this is a bad example because hydroxyl groups are
typically not neutral.  The groups that I will consider will be.

Thanks,
Andrew DeYoung
Carnegie Mellon University