From: Jianhui Tian (jianhuitian_at_gmail.com)
Date: Fri Feb 16 2007 - 09:14:00 CST
Hi Namders,
I am running a system with NPT. In the .namd file, I put the initial system
cell size information into "cellBasisVectors" and also turned on the
"LangevinPiston" to enable the pressure coupling. How would the
cellBasisVector change if you use the pressure coupling? Do you have to
set new cellBasisVector if you want to extend your simulation after 5ns
running? Thank you very much.
Jianhui
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