[gmx-users] Pressure coupling incorrect number of values (I need exactly 2)-US simulation
Alex Mathew
alexmathewmd at gmail.com
Sun Aug 20 09:53:13 CEST 2017
Dear Justin,
As per the manual i have changed parameters as
tcoupl = berendsen
tc_grps = Protein Non-Protein Chain_B
tau_t = 1.0 1.0 1.0
ref_t = 310 310 310
;
pcoupl = berendsen
pcoupltype = semiisotropic
tau_p = 5.0
compressibility = 4.5e-5 4.5e-5
ref_p = 1.0 1.0
but i'm getting the error as
Can not have dynamic box while using pull geometry 'direction-periodic' (dim
z)
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