CCL:G: ADMP-MD Simulation

To increase the step size aka time step of your simulation, use the
 stepsize=n option to ADMP. A default n=1000 corresponds to a 0.1fs time
 step. The option maxpoints is used to specify the number of time steps or
 length of simulation time. maxpoints=300 with a default n=1000 should give
 you a 30fs MD simulation.
 If you want a step size of 0.5fs and 1ps simulation, your ADMP keywords
 should be
 Since you are using the fullscf keyword, you are converging the SCF at
 every simulation step and thus running a BOMD simulation and not a ADMP
 See for additional details and
 On Tue, Sep 12, 2017 at 8:27 AM, SHAKTI SHAKNKAR RAY <
 owner-chemistry^^> wrote:
 > Sent to CCL by: "SHAKTI SHAKNKAR RAY" []
 > Dear All.
 > Hope you are fine. I am  Shakti Shankar Ray, a grad student at Indian
 > Institue of Technology (ISM), Dhanbad India. I have been studying DFT and
 > quintessentially involved in hydrogen storage methods. I am actually new in
 > this field and don't know much more about Gaussian. I am trying to
 > calculate ADMP-MD simulation in Gaussian. But i am facing a problem when I
 > used the step size more than 1000 the job get terminated running after a
 > while. But its running when there is no step size in the keyword
 > (Default=1000). Another problem is that i can able to extract the
 > trajectory time only up to 10fs.So is there any keyword to increase the
 > trajectory time.
 > Currently i am working in the field of hydrogen storage methods. So i wish
 > to graph between the hydrogen distance and the trajectory time.So how can i
 > get this.I have used the key word
 > #p M062x/6-311++g(d,p) ADMP=(maxpoints=300,fullscf) geom=crowd
 > integral=ultrafine temp=70  scf=maxcycle=1000  in the route section.
 > Please guide me in this regard>