[gmx-users] pulldim option in umbrella sampling
leehk at umich.edu
Fri Dec 2 18:18:51 CET 2005
I'm trying to do umbrella sampling with the distance restraint between
COMs of two helix peptides, and I'm wondering about pulldim and pos1
options. My ppa file is below. Do I need to put "pulldim = Y Y Y"?
My reference_group moves, so the pulled group also moves. In this case,
how can I make "pos1" option? -------------
verbose = no
runtype = umbrella
group_1 = KID6
pulldim = ??
reference_group = KID5
reftype = com
k1 = 1000
pos1 = ??
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