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??
Question about MD & Static temperature
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Question about MD & Static temperature
Last edited by ninaj on Mon Feb 04, 2008 1:38 am, edited 1 time in total.