Hi all,
I have a system size of 303.4454000 303.3504000 303.3644000 box size and it
has 141000 atoms with water.
However a compiled pmemd gives me this message when trying to minimize it.
| ERROR: nfft1 must be in the range of 6 to 256!
| ERROR: nfft2 must be in the range of 6 to 256!
| ERROR: nfft3 must be in the range of 6 to 256!
I think the system size is big and need to recompile pmemd. But could anyone
tell me what should I be changing in the code.
I am using AMBER 10.
thanks for your time.
regards,
ganesh
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Received on Tue Mar 30 2010 - 11:00:06 PDT
