Hi,

I have few dcds which i want to merge and recenter.

Code:
READ PSF CARD NAME ./../eqf10/@EQHEATPSF
READ COOR PDB NAME ./../eqf10/@EQHEATPDB

open read unit 51 file name ../output/@i/unfold_1le0.job0.@i.sort.dcd
open read unit 52 file name ../output/@i/unfold_1le0.job1.@i.sort.dcd

!!!!!TRAJECTORY FIRSTU 51 NUNIT 1 IREAD BEGIN 0 STOP 10000000 SKIP 2500
!!!!!TRAJ READ

open write unit 61 file name ./../anal/recen/@i/unfold_1le0.joball.@i.recen.dcd

! Here you need the same set of image or crystal definitions as were used 
! when the trajectory was created	
crystal define CUBIc  50. 50. 50. 90.0 90.0 90.0
crystal build noper 0

! Image statemnts for those molecules that should be recentered
image byresidue sele all end
 
merge firstu 51 nunit 2 skip 0 output 61 - !!!!begin 0 stop 10000000 -
  orient recenter sele all end sele segid PRT .and. .not. hydrogen end


this script runs fine for single dcd. i want to run it on 2 or more dcd's.
but this only writes first dcd to unit 61. how can i merge these dcd's.


Edited by Rohit (12/06/18 01:59 PM)