[gmx-users] initial temperature

[Roman Martonak (CSCS)]

I am simulating a box with 360 TIP4P waters and when I initialize
temperature to e.g. 140 K

gen_vel                  = yes
gen_temp                 = 140.

it actually gets an initial value about 1.3 times higher 

Started mdrun on node 0 Wed Sep 17 17:44:48 2003
Initial temperature: 184.364 K

What is the reason for this behaviour ? Is the factor of about 1.3 related
to the fact that there are 4 atoms including the dummy one and only 3 real
atoms ?

	  Thanks, 
			Roman Martonak.

-- 
Dr. Roman Martonak                         Tel:    +41(91) 610 8226    
Swiss Center for Scientific Computing      Fax:    +41(91) 610 8282    
Via Cantonale - Galleria 2                 E-mail: martonak at cscs.ch    
CH-6928 Manno, Switzerland                 WWW:  http://www.cscs.ch/