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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