[DFTB-Plus-User] MD output looks the same as all the steps with NPT ensemble

[Giovanni La Penna]

Check the units of timestep.

Greetings,
                Giovanni La Penna

National research council of Italy (CNR)
Institute for chemistry of organometallic compounds (ICCOM)
Sesto Fiorentino (Firenze), Italy
tel.: +39 0555225264 / skype: giovannilapenna

On Tue, 22 Dec 2015, Faruq, Muhammad wrote:

> Could you please help me to find out the problem from my MD calculations. It looks to me the first step  and the last step all are the same volume as well as energy. In this calculation,  I used NPT ensemble so that volume should be changed at each  step.  Here is the output and input details. Any help will be appreciated and thanks in advance