[gmx-users] About COM pulling

[zhongjin]

Hi all,    I am using GMX4.5.1 to do COM pulling .    ; COM PULLING          ; Pull type: no, umbrella, constraint or constant_forcepull                     = umbrella; Pull geometry: distance, direction, cylinder or positionpull_geometry            = direction; Select components for the pull vector. default: Y Y Ypull_dim                 = N N Y; Cylinder radius for dynamic reaction force groups (nm)pull_r1                  = 1; Switch from r1 to r0 in case of dynamic reaction forcepull_r0                  = 1pull_constr_tol          = 1e-06pull_start               = yespull_nstxout             = 10pull_nstfout             = 1; Number of pull groups pull_ngroups             = 1; Group name, weight (default all 1), vector, init, rate (nm/ps), kJ/(mol*nm^2)pull_group0              = referpull_weights0            = pull_pbcatom0            = 0pull_group1
              = Kpull_weights1            = pull_pbcatom1            = 0pull_vec1                = 0.0 0.0 1.0pull_init1               = 0.0pull_rate1               = 0.001pull_k1                  = 1000pull_kB1                 = 
I don't know why it did not pull in Z direction? And what does pull_start  = yes mean?Thanks !Zhongjin He


      
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