sander 6 warming up

From: Shixiang Yan <sy8_at_SCIRES.ACF.nyu.edu>
Date: Thu 31 May 2001 22:06:20 -0400

i have a question about the warm up process in amber 6. After I relax the
water and the
whole system using the standard procedure, I tried to warm up the system
slowly
from 10K to 300K through 40ps. The first temp I have is like 14K, but the
next temp which is at 0.2ps is like 140K, then the temp is slowly going
down to about 50 at 5ps, after that it just slowly went up from 50K
to 300K at about 47ps. i was wondering if this was observed before.
thanks a lot, frank
Received on Thu May 31 2001 - 19:06:20 PDT
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