I am using amber 11/mmpbsa.py. I have not been able to process my results
thusfar and believe I have found the result:
PTRAJ: Processing input from file _MMPBSA_cenptraj.in
PTRAJ: trajin g1tetra_prod_mdx1 6000 8000 1
Checking coordinates: g1tetra_prod_mdx1
Rank: 0 Atoms: 29291 FrameSize: 711797 TitleSize: 81 NumBox: 3 Seekable 1
FYI ptrajSetupIO(): trajin stop value (8000) is greater than the number of sets
read in.
Setting stop to the maximum value (5000)
WARNING in ptrajSetupIO(): trajectory start is > stop; no
configurations will be processed
I specified frames that exceed the maximum value, thus the program will not
process the trajectories.
How can I change this maximum value? I ran the production sims for 10ns and am
interested in frames 6000-8000.
Thanks
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Mar 19 2011 - 09:30:02 PDT
