
trajin GAAC3.dcd.1
trajin GAAC3.dcd.2
trajin GAAC3.dcd.3
trajin GAAC3.dcd.4
trajin GAAC3.dcd.5
trajin GAAC3.dcd.6
trajin GAAC3.dcd.7
trajin GAAC3.dcd.8
trajin GAAC3.dcd.9
trajin GAAC3.dcd.10
trajin GAAC3.dcd.11
trajin GAAC3.dcd.12
trajin GAAC3.dcd.13
trajin GAAC3.dcd.14
trajin GAAC3.dcd.15
trajin GAAC3.dcd.16
trajin GAAC3.dcd.17
trajin GAAC3.dcd.18
trajin GAAC3.dcd.19
trajin GAAC3.dcd.20
trajin GAAC3.dcd.21
trajin GAAC3.dcd.22
trajin GAAC3.dcd.23
trajin GAAC3.dcd.24
trajin GAAC3.dcd.25

parm GAAC-avg_0-10us.pdb
reference parmindex 1 GAAC-avg_0-10us.pdb

autoimage

#
#  grid 1
#
rms reference mass out fgrid-rms1.dat :5-8,29-32 time 50
grid fgrid-wat1.xplor  500 0.1 500 0.1 500 0.1 :WAT@O
grid fgrid-k1.xplor 500 0.1 500 0.1 500 0.1 @K+
grid fgrid-cl1.xplor 500 0.1 500 0.1 500 0.1 @Cl-

translate x -0.25 y -0.25 z -0.25
average fgrid-avg1.pdb pdb :1-36
translate x 0.25 y 0.25 z 0.25

#
#  grid 1
#
rms reference mass out fgrid-rms2.dat :9-12,25-28 :5-8,29-32 time 50
grid fgrid-wat2.xplor  500 0.1 500 0.1 500 0.1 :WAT@O
grid fgrid-k2.xplor 500 0.1 500 0.1 500 0.1 @K+
grid fgrid-cl2.xplor 500 0.1 500 0.1 500 0.1 @Cl-

translate x -0.25 y -0.25 z -0.25
average fgrid-avg2.pdb pdb :1-36


