01 January 2019 1 4K Report

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

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