Hi Amber members,
I am using Amber 18 with AmberTools 19. I am trying to create an image file of trajectory. The commands are as follow:
parm file_name.prmtop
trajin file_name.rst
center :1-264 mass origin
image familiar com :1-264
outtraj file_name_image.rst ncrestart
go
While using "autoimage" instead of "centre and image". I get the same error with 'rst' file as:
CPPTRAJ: Trajectory Analysis. V4.14.0 (AmberTools V19.00)
___ ___ ___ ___
| \/ | \/ | \/ |
_|_/\_|_/\_|_/\_|_| Date/time: 08/07/19 11:15:44
| Available memory: 60.273 GBINPUT: Reading input from 'image.in'
[parm 1m40_mem.prmtop]
Reading '1m40_mem.prmtop' as Amber Topology
Radius Set: modified Bondi radii (mbondi)
[trajin 1m40_mem.rst]
Reading '1m40_mem.rst' as Amber NC Restart
Error: Number of atoms in NetCDF file (26659) does not match number
Error: in associated topology (26643)!
Error: Could not set up '1m40_mem.rst' for reading.
Error: Could not set up input trajectory '1m40_mem.rst'.
1 errors encountered reading input.
TIME: Total execution time: 0.1785 seconds.
Error: Error(s) occurred during execution.
Kindly suggest.
Thanks,Hira
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Received on Wed Aug 07 2019 - 04:00:02 PDT
