AMBER Archive (2009)

Subject: [AMBER] production phase

From: s. Bill (s_bill36_at_yahoo.co.uk)
Date: Thu Jul 16 2009 - 07:18:25 CDT

Dear AMBER
In AMBER tutorials, I found the author used ntb=1 with NTT=3, ntb=2 with NTT=3 or ntb=1 with NTT=1 in production phase.
which condisiton we should use in the production phase, constant volume or constant pressure?
Also, the author used NTT=1 in place of NTT=3 just to savetime only, but NTT=3 is prefered than NTT=1, didn't he?
thanks
bill

      
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