public boolean outOfSimulationBox(BitSet bs) {
		Point3f[] p = getMinMaxCoordinates(bs);
		if (p == null)
			return false;
		if (p[0].x <= 0.5f * (atom[Math.round(p[2].x)].sigma - getLength()))
			return true;
		if (p[1].x >= 0.5f * (getLength() - atom[Math.round(p[3].x)].sigma))
			return true;
		if (p[0].y <= 0.5f * (atom[Math.round(p[2].y)].sigma - getWidth()))
			return true;
		if (p[1].y >= 0.5f * (getWidth() - atom[Math.round(p[3].y)].sigma))
			return true;
		if (p[0].z <= 0.5f * (atom[Math.round(p[2].z)].sigma - getHeight()))
			return true;
		if (p[1].z >= 0.5f * (getHeight() - atom[Math.round(p[3].z)].sigma))
			return true;
		return false;
	}