#include <vparam.h>
Data Fields | |
| char | atomName [VMAX_ARGLEN] |
| char | resName [VMAX_ARGLEN] |
| double | charge |
| double | radius |
| double | epsilon |
interacting with atom
:
where
is the well-depth (in the desired energy units),
is the distance between atoms
and
, and
is the sum of the van der Waals radii.
|
|
Atom name |
|
|
Atom charge (in e) |
|
|
Atom VdW well depth ( |
|
|
Atom VdW radius ( |
|
|
Residue name |
1.3.5