transrot

A transrot directive is used to specify global rotations of the entire system (usually before solvation). There are 2 types of transrot directives:

  1. TRANS: translates the entire system by a specified amount in the x, y, and z directions. The syntax for specifying a TRANS directive is TRANS,<x>,<y>,<z>. <x>, <y>, and <z> are the amounts of translation in the x, y, and z directions, respectively. For example, TRANS,10.0,0.0,0.0 would translate the entire system by 10.0 Angstroms in the x direction.

  2. ROT: rotates the entire system by a specified amount about the x, y, or z axes. The syntax for specifying a ROT directive is ROT,<axis>,<angle>. <axis> is the axis about which to rotate (x, y, or z), and <angle> is the angle of rotation in degrees. For example, ROT,x,90 would rotate the entire system by 90 degrees about the x axis.