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print_xyz_only

NAME
print_xyz_only - Write xyz coordinates only of trajectory's snapshots on a formatted or unformatted file.
SYNOPSIS
print_xyz_only [form]
DESCRIPTION
This command must be used in conjuction with the PLOT CENTER (&INOUT) or PLOT FRAGMENT (&INOUT) commands.e If the optional argument form=unformatted, the writing is done in unformatted form onto the files specified in the PLOT CENTER (&INOUT) or PLOT FRAGMENT (&INOUT) commands. Default is form=formatted.
EXAMPLES
 
&INOUT
  print_xyz_only unformatted
  PLOT CENTER 10.0 OPEN traj1 
  PLOT FRAGMENT  10.0 OPEN traj_fragm 1 
&END
...
&PROPERTIES
  DEF_FRAGMENT 1 10
&END
Write the xyz coordinates of the full system on the unformatted file traj1 and write the xyz coordinates of the solute fragment containing atoms from index 1 to index 10 (solute atom indexing is that given in the topology file) to the unformatted file traj_fragm.
WARNINGS
print_xyz_only must be specified before PLOT CENTER or PLOT FRAGMENT.


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