[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!
maggin
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