Dear AMBER users,
I was hoping that you could answer my following question:
I "make" a new ions94.lib file for adding zinc ions in our computer, then my
test job was running fine. I wonder if the job can be run in other
computers (in another institute, without the new ions94.lib file) after the
job (with zinc ions) was set up using xleap in our computer with the new
ions94.lib file.
Actually, when I tried to run the job in the other computer, I got an
error message:
| Memory Use Allocated
| Real 71673782
| Hollerith 5420485
| Integer 46093444
| Max Pairs 40804467
| Max Rstack 90000000
| Max Istack 50000000
ERROR: Flag "EXCLUDED_ATOMS_LIST" not found in PARM file
I wonder if the cause of this error was an issue which was related to the
ions94.lib file.
Thanks,
Wen
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Received on Fri Feb 20 2004 - 17:53:00 PST
