AMBER Archive (2003)

Subject: AMBER: Constant temperature

From: L Jin (s0344557_at_sms.ed.ac.uk)
Date: Sat Dec 27 2003 - 05:29:13 CST

Dear all,

I ran the constant temperature MD at 300K just with minimization first and them
MD. But I have seen that many users first heat their system from 0 to some
temperature with first run by increasing the temp by say 10K gradually. Please
anybody can tell me how did you do this? And the reason of doing this. Must I
have this run for the MD? Thank you very much.

Lan

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu