MD Restart Pbm
Posted: Sun Nov 24, 2013 11:56 pm
Dear All,
I made a MD for 10 PS and set the temperature to 600K. The system is equiibrated well within this 10 PS, and now I restarted it by copying CONTCAR to POSCAR. But i find that the temperature starts going do 1deg. can anyone helps me find out where it is going wrong.
MK
I made a MD for 10 PS and set the temperature to 600K. The system is equiibrated well within this 10 PS, and now I restarted it by copying CONTCAR to POSCAR. But i find that the temperature starts going do 1deg. can anyone helps me find out where it is going wrong.
MK