Hello Justin
Thanks for your reply. I have finally found why I obtained a large drift and
decrease of the temp of my system during the NVE : I stupidly mixed different
cpt and tpr files. If I use the right files and the following parameters below
suggested by M. Shirts in [1] for my tests:
On 5/13/14, 10:44 AM, ABEL Stephane 175950 wrote:
Hello Justin
Thanks for your reply. I have finally found why I obtained a large drift and
decrease of the temp of my system during the NVE : I stupidly mixed different
cpt and tpr files. If I use the right files and the following parameters
