Dear Amber experts,
Greetings!
Is there any problem with this input file? Why I always end up with this
eror?
DecompError: Mismatch in number of decomp terms!
Error occured on rank 0.
Exiting. All files have been retained.
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Input file for running PB and GB
&general
startframe=4040,endframe=10000,
interval=40,
keep_files=0,
receptor_mask=:1-682:688-694,
ligand_mask=:683-687,
strip_mask=:WAT:Na+
/
&gb
igb=2, saltcon=0.100,
/
&pb
indi=1, istrng=0.100,
/
&decomp
idecomp=1,
print_res="1-149,151-176,181-211,214-217,219-450,454-543,549-682",
/
Rgds,
C.Q.
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Received on Fri Aug 02 2013 - 08:00:03 PDT
