Question about MD & Static temperature
Posted: Mon Feb 04, 2008 1:38 am
I'm calculate some structure about MD and Static calculation.
My MD option is TEBEG=900, TEEND=0
Then, i check the Energy (Sigma -> 0).
Converge Energy MD= -942.211958
Static = -942.610595
Is this big gap about 0.4??
My MD option is TEBEG=900, TEEND=0
Then, i check the Energy (Sigma -> 0).
Converge Energy MD= -942.211958
Static = -942.610595
Is this big gap about 0.4??