subject:"\[gmx\-users\] refcoord_scaling = com"

Re: [gmx-users] refcoord_scaling = com

2013-06-14 Thread Justin Lemkul

On 6/14/13 2:58 AM, maggin wrote: 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

[gmx-users] refcoord_scaling = com

2013-06-14 Thread maggin

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,