Dear AMBER users,
I perform the simulation of 300res. protein in TIP3 water. The
density of the system under NPT conditions during production decreases
very slowly but constantly (start .99 after 50ps .89). Could somebody tell
me why?
Thanks in advance,
Michal
Details:
Sander 5, patch level 24
PBC, PME, SHAKE ALL, NTT = 5, cut = 9.0
tot. charge of the system = 0
output file included as attch.
first 0ps minimizations etc.
next 10ps was slow heating
next 40ps was NPT equilibration
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Received on Mon Jun 19 2000 - 01:30:32 PDT
