Dear fellow AMBER users,
I have been attempting to heat up a system in different heating stages
(e.g. (1) Heat from 0-50K, (2) Heat 50-100K, and so forth). But I noticed
in my output file that the temperature is exceeding what I have specified
for the heating simulation. This is my first time trying to heat a system
up and I was wondering if I may have specified some parameter incorrectly.
I have attached my input file and a corresponding output for reference.
Thank you for your time and any advisement,
*An Tien Ta*
Chemistry Ph.D Candidate
Colorado School of Mines || Department of Chemistry
Coolbaugh Hall, Rm. 118
Golden, CO 80401
anta.mines.edu
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- application/octet-stream attachment: Heat1.in
- application/octet-stream attachment: Heat1.out
Received on Thu Apr 18 2019 - 06:00:02 PDT
