[gmx-users] temperature..

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jun 20 16:24:14 CEST 2007


abhishek sharma wrote:
> dear all,
> i completed a simulation of copper nanoparticles.I want to observe the
> change in temp during the simulation.could u please help me in
> calculating the temperature of the system at the end of simulation.

Very funny. This is the same type of question you asked on June 17, to 
which I replied here - 
http://www.gromacs.org/pipermail/gmx-users/2007-June/028053.html My 
reply is the same... read section 7.4 of the manual and *work out* which 
utility might be useful for you. You might even remember some of the 
other ones so that next time you don't have to search as hard.

If you ever want to be any good in this field, you will have to work out 
how to read and learn independently. This is what a university degree 
should be teaching people. This email list is not a free consultancy 
service for asking simple questions that are easily covered in the 
manuals and tutorials. Our time is valuable, and you should respect that 
if you want some of it.

Mark



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