[gmx-users] Umbrella pulling Drug + Ion channel

[Andres Ortega Guerrero]

Yes during Equilibration, the drug and the channel was restraint, yesterday , i tried changing the pull_geometry to position
and it worked, i think that maybe there was problem with my cylinder configurations , this was my position configuration, 
considering this, i might think that theres not a problem of stability could be this true?

thank you Justin in advance

; Pull code
pull            = umbrella
pull_geometry   = position  ; 
pull_vec1       = 0.0 0.0 1.0 ;
pull_start      = yes       ; define initial COM distance > 0
pull_init1             = 0 0 0
pull_ngroups    = 1
pull_group0     = Protein
pull_group1     = DOX 
pull_rate1      = -0.01      ; 0.01 nm per ps = 10 nm per ns
pull_k1         = 1000      ; kJ mol^-1 nm^-2
pull_pbcatom0   = 8485

Andrés