[gmx-users] refcoord_scaling = com

maggin maggin.chen at gmail.com
Fri Jun 14 08:58:28 CEST 2013

at md stage, 

can we set refcoord_scaling = com  as follows, 

; Pressure coupling is on 
pcoupl	 = Parrinello-Rahman	; Pressure coupling on in NPT 
pcoupltype	= isotropic	; uniform scaling of box vectors 
tau_p	 = 2.0	 ; time constant, in ps 
ref_p	 = 1.0	 ; reference pressure, in bar 
compressibility = 4.5e-5	; isothermal compressibility of water, bar^-1 
refcoord_scaling = com 

at lysozyme tutorial there is no  refcoord_scaling set.  I'm not sure if it
could do that set refcoord_scaling = com at md stage 

Thank you very much! 


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