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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