ITITL : the title of the current run, from the AMBER
parameter/topology file
FORMAT(I5,5E15.7) NATOM,TIME
NATOM : total number of atoms in coordinate file
TIME : option, current time in the simulation (picoseconds)
FORMAT(6F12.7) (X(i), Y(i), Z(i), i = 1,NATOM)
X,Y,Z : coordinates
IF dynamics:
FORMAT(6F12.7) (VX(i), VY(i), VZ(i), i = 1,NATOM)
VX,VY,VZ : velocities
IF periodic box [4.0 and previous: only if constant pressure]:
FORMAT(6F12.7) BOX(1), BOX(2), BOX(3)
BOX : size of the periodic box
Note: in AMBER 4.1 if the ewald option is turned on, the box angles
will also be written out in the same format.
GIBBS will print extra information.