Hi David Mueller,
In Physical Chemistry Van der Waals interacions are defined as all type of
forces between molecules (or parts of them) excluding covalent bonds and
electrostatic interactions. So, you are right that the most common forces
included into Van Der Waals are: interaction between
On Wed, 2012-03-21 at 10:16 +0100, Rubén Sánchez Eugenia wrote:
In Physical Chemistry Van der Waals interacions are defined as all
type of forces between molecules (or parts of them) excluding covalent
bonds and electrostatic interactions. So, you are right that the most
common forces included
Aren't all forces between atoms and molecules electrostatic in origin?
Cheers
On 3/21/12 8:27 AM, Ed Pozharski epozh...@umaryland.edu wrote:
On Wed, 2012-03-21 at 10:16 +0100, Rubén Sánchez Eugenia wrote:
In Physical Chemistry Van der Waals interacions are defined as all
type of forces
plus exchange interaction :)
On 21 Mar 2012, at 13:42, David Mueller wrote:
Aren't all forces between atoms and molecules electrostatic in origin?
Cheers
On 3/21/12 8:27 AM, Ed Pozharski epozh...@umaryland.edu wrote:
On Wed, 2012-03-21 at 10:16 +0100, Rubén Sánchez Eugenia wrote:
David:
In my experience most people don't put a lot of thought into an upper limit for
van der Waals (VDW) contacts and use a hard, arbitrary upper value of 4
Angstrom.
In the mid-1980's, Wayne Hendrickson and I proposed that one should use:
· Atom type dependent cutoffs
· As
Technically, no. You may be able to exclude nuclear forces, but gravity
certainly isn't included in Maxwell's equations.
The other forces can simply be neglected because their contribution is
negligible when molecular interactions are concerned.
On Wed, 2012-03-21 at 08:42 -0500, David Mueller
Hi David,
Perhaps the most accurate inter- and intramolecular forces available for
macromolecular X-ray crystallography refinement are currently based on the
polarizable multipole AMOEBA force field. AMOEBA includes explicit support
for the interactions you mentioned:
1.) repulsion-dispersion
Dear Crystallographers:
I am mapping out van der Waals contacts between a small molecule and a
protein. What are the generally accepted limits for positive van der Waals
interactions? I am defining van der Waals interactions as the energy of
interaction between permanent dipoles, plus the
