From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Wed Jul 04 2018 - 10:25:19 CDT
Dear All,
For NPT simulation, I am using Langevin dynamics in
namd and parameters are given below
useGroupPressure on
useFlexibleCell yes
useConstantArea yes
langevinPiston on
langevinPistonTarget 1.01325
langevinPistonTemp 300
langevinPistonDecay 300
langevinPistonPeriod 300
How can I check, If my system reached 1.01325 bar or not? since output
pressure has many values. Kindly help me in this.
Manikandan
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