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
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