AMBER Archive (2008)

Subject: AMBER: Nmode segmentation fault

From: James Thomas (james.protein_at_googlemail.com)
Date: Tue Mar 25 2008 - 06:53:21 CDT

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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