AMBER: temperature problem

From: Lishan Yao <yaolisha.pilot.msu.edu>
Date: 25 Aug 2003 09:37:01 -0400

Hi there:
   I have run a long time MD for my protein in water by using sander. I
am just curious to know what is the temperature of the protein and what
is the temperture of water. So could I find a way to calculate them. I
have a trajectory file and an energy output and a standard output file.
Thanks in advance for your help.

Best,
Lishan

-- 
Lishan Yao <yaolisha.pilot.msu.edu>
MSU
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Aug 25 2003 - 14:53:00 PDT
Custom Search