From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Thu May 05 2016 - 17:39:35 CDT
I am simulating my protein in NPT ensemble but while heating I am
getting following error.
ERROR: 'LangevinPistonTemp' was set to 0 but it should be positive
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
How can I heat my system in NPT ensemble? or should I try a different
ensemble during heating and change it to NPT during final run?
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