[AMBER] confusion in md run

From: Robin Jain <robinjain.chem.gmail.com>
Date: Wed, 4 Feb 2015 13:42:43 +0530

Dear all,
I am confused in md run and wants your help.
I have a organic molecule in a solvent and I have equilibrated my
system in NPT ensemble for 5 ns. Now i want to run production. Some
body told me that for production, you should first 10 ns run in NVT
ensemble and finally 50-60 ns run in NPT ensemble while some told me
that you should only run in NPT ensemble for 60-80ns. What should i
do. Please help me in this regard. 

-- 
Robin Jain
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Received on Wed Feb 04 2015 - 00:30:02 PST
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