Problem: Failed sander runs with following error messages.
Please note, these messages are from 2 different runs:
ERROR: Flag "IROTAT" not found in PARM file
ERROR: Flag "ANGLES_WITHOUT_HYDROGEN" not found in PARM file
Details:
Large system (520,000 and 1,000,000 atoms). Patches by Vlad
applied for system beyond 1 million atoms
(
http://amber.ch.ic.ac.uk/archive/200302/0224.html).
Runs on 16 processor machine (Cray XT3). Compiler: PGI v6.0
with MPICH.
Any help with be highly appreciated.
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Received on Sat Jul 30 2005 - 03:53:01 PDT
