[gmx-users] Pull Code Error "unknown left hand"
stella.nickerson at gmail.com
Mon Oct 5 04:25:16 CEST 2015
I am attempting to pull a particle across a simulation box. I did it
several times with version 4.6.3 but this is my first attempting to do it
with version 5.0.4.
I modified my mdp file for the new version based on the updated tutorial (
My pull code looks like this:
; Pull code
pull = yes
pull_ngroups = 2
pull_ncoords = 1
pull_group1_name = DMY
pull_group2_name = DNP
pull_coord1_type = umbrella
pull_coord1_geometry = direction_periodic
pull_coord1_groups = 1 2
pull_coord1_dim = N N Y
pull_coord1_rate = 0.01
pull_coord1_k = 1000
pull_start = yes
I am getting an error message and several warnings. The error reads
"Invalid enum 'yes' for variable pull, using 'no' Next time use one of:
'no' 'umbrella' 'constraint 'constant force.'
The warnings read "unknown left-hand 'pull_ngroups' in parameter file",
with similar warnings for the other left-hand terms.
I tried to compile a version using my old pull code from the earlier
version just to see what would happen and it gave fewer warnings, though it
didn't recognize "pull_vec1." So neither the old options nor the new
I would love some clarification on this issue.
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