From: Xiaoqing Wang (kitty_wxq_at_yahoo.com.cn)
Date: Tue Jan 18 2005 - 01:30:23 CST
We can obtain some message in output file of molecular dynamics
simulation through namd2.
ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY
MISC KINETIC TOTAL TEMP
TOTAL2 TOTAL3 TEMPAVG PRESSURE
GPRESSURE VOLUME PRESSAVG GPRESSAVG
What other message can we get?
How could I do if I want to calculate electrostatic potential?
Thanks in advance!
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