[gmx-users] umbrella-drug

[parto haghighi]

Dear Justin
thank you for your response
here is my umbrella part of mdp file:
; Pull code
pull                 = umbrella
pull_geometry  = position  ; simple distance increase
pull_dim        = N N Y
pull_start      = yes       ; define initial COM distance > 0
pull_ngroups    = 1
pull_group0     = DRUG
pull_group1     = LIPID
pull_rate1       = 0.1      ; 0.01 nm per ps = 10 nm per ns
pull_k1           = 1000      ; kJ mol^-1 nm^-2
pull_init1        =  0 0 0
pull_vec1        = 0 0 1
I want to pull drug to lipid bilayer.when i run with this mdp i have
this error: pull_vec1 can not be zero when pull position and non-zero
pull_init1
Could you please help me?!
thanks in progress