Dear all,
I ran the constant temperature MD at 300K just with minimization first and them
MD. But I have seen that many users first heat their system from 0 to some
temperature with first run by increasing the temp by say 10K gradually. Please
anybody can tell me how did you do this? And the reason of doing this. Must I
have this run for the MD? Thank you very much.
Lan
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Received on Wed Jan 14 2004 - 15:53:12 PST
