Dear amber community
I am running a nmode program using amber9 package. I tried using a smaller
file as a test (the prmtop size: 566999 & the inpcrd: 50451). My interest
protein has this (the prmtop size: 2307687 & the inpcrd size:210978).
However, I got the error message of segmentation fault few minutes after I
started the run.
My test run using test protein is successful to complete 100 steps of Newton
minimization.
I also refer this : http://amber.scripps.edu/bugfixes/6.0/bugfix.28, but not
sure on how to modify the alloc.f file.
Is that because my protein of interest is too big?
I look forward to your advices / suggestions.
Many thanks!
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Received on Fri Apr 18 2008 - 21:13:54 PDT
