Dear all,
I want to use gromacs to pull a peptide out of exit tunnel of ribosome
The pulling force is applied on ACE group of peptide
my setup are:
; Pull code
pull = yes
pull_ncoords = 1
pull_ngroups = 1
pull_coord1_groups = 0 1
pull_group1_name = ACE
pull_coord1_type = umbrella
pull_coord1_geometry = direction
pull-coord1-vec = 1.0 0.0 0.0
pull_coord1_start = yes
pull_coord1_rate = -0.005
pull_coord1_k = 1000
Is my setup correct?
Thank you and best regards