#============================================================*
#               test simulation of peptide planes            *
#                                                            *
# use ball sockets.                                          *
#============================================================*

# set units
units
units scale  name = mass   uname = reducedMass   value = 10000.0

# set units
units
units scale  name = mass   uname = reducedMass   value = 10000.0

database open name = db1  format = pdb  file = d1.pdb
molecule read  name = m1   database = db1
domain create d1 = A
domain d1 bonds  atoms = true  atom_color = [ 1 0 0 ] \
                 bond_color = [ 1 0 0 ] width = 3 show

database open name = db2  format = pdb  file = d2.pdb
molecule read  name = m2   database = db2
domain create d2 = A
domain d2 bonds  atoms = true  atom_color = [ 0 1 0 ] \
                 bond_color = [ 0 1 0 ] width = 3 show

database open name = db3  format = pdb  file = d3.pdb
molecule read  name = m3   database = db3
domain create d3 = A
domain d3 bonds  atoms = true  atom_color = [ 0 1 1 ] \
                 bond_color = [ 0 1 1 ] width = 3 show


#--------------------------------------------------------------#
#                      create bodies                           #
#--------------------------------------------------------------#
body create  name = d1b  type = rigid   domain = d1
body create  name = d2b  type = rigid   domain = d2
body create  name = d3b  type = rigid   domain = d3
body create  name = ground type = rigid   

#--------------------------------------------------------------#
#                      create joints                           #
#--------------------------------------------------------------#

joint create  name = jnt1  type = ball  domain = d2  res = A3 use = N
joint jnt1 color = [ 0 1 0 ] msize = 0.01 shading = color show = true
joint jnt1 bodies = { d1b d2b }

joint create  name = jnt2  type = ball  domain = d2  res = A3 use = C
joint jnt2 color = [ 0 1 0 ] msize = 0.01 shading = color show = true
joint jnt2 bodies = { d2b d3b }

joint create  name = jntg  type = ball position = [ 7.40445 3.79659 -1.34826 ] 
joint jntg color = [ 0 1 0 ] msize = 0.01 shading = color show = true
joint jntg bodies = { ground d1b }


#--------------------------------------------------------------#
#                 create a rigid simulation                    #
#--------------------------------------------------------------#

simulation create name = rsim  type = rigid
simulation rsim solver = ode
simulation rsim solver finite_rotation = on


# add bodies
#-----------
simulation rsim add body = d1b
simulation rsim add body = d2b
simulation rsim add body = d3b

# add joints
#-----------
simulation rsim add joint = jnt1
simulation rsim add joint = jnt2

# add forces
#-----------
force create  name = force1                           \
              type = explicit                         \
              global_frame = true                     \
              point = [ 7.26779 3.98016 -1.21133 ]    \
              direction = [  0  -0.2 0 ]              \
              scale = 1.0

simulation rsim add force = force1    \
                    body = d1b        \
                    time = { 0 1000 }


# initialize simulation
#----------------------
simulation rsim initialize





graphics center point = [ 7.32988 3.85811 -0.972 ]