From: yxiong_at_mail.ccnu.edu.cn
Date: Fri Nov 14 2003 - 02:57:25 CST
Dear Sir,
(1) I read a lecture in the NAMD homepage on how to determine force field for new
molecule or ligand.However it says MOE program is need. Whether does anyone know
where I can download this program?
(2) I find a problem about Namdplot script on the NAMD utilities. I can't see any
figure with this namdplot script. When I modify the line 150:
grep '^ENERGY:' $argv | grep -v '[a-z]' | awk "$prog" > $tmpfile
to:
grep '^ENERGY:' $argv | awk "$prog" > $tmpfile
it can work.
Is my modification right?
(3) When I read some books, I see a expresssion"Simulated annealing". It should
belong to a molecular dynamic simulated method. What are the difference between
"MD" in NAMD program and "Simulated annealing"?
Thank you very much!
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