[AMBER] NVT and NPT ensemble

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 21 Jul 2014 13:47:41 +0530

 

NVT and NPT are two commonly used ensemble during MD simulation of
biomolecules. NPT must be used during equilibration just before changing
to constant volume ensemble. So during production run NVT or NPT which
one should be prefer and why 

-- 
Sangita Kachhap
SRF
C/O Dr. Balvinder Singh
BIC
IMTECH
 
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Received on Mon Jul 21 2014 - 01:30:02 PDT
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