AMBER Archive (2007)

Subject: AMBER: Regarding energy of decomposition tutorials

From: zachary hartman (deadally_at_hotmail.com)
Date: Fri Jan 26 2007 - 09:29:50 CST

Hello all!

One of my colleagues has been trying to get AMBER9's mm_pbsa module to
complete energy of decomposition for quite some time now. Unfortunately,
with all the advice and reading she's been doing, she's not able to get past
this error

Can't use an undefined value as an ARRAY reference at
/usr/.../mm_pbsa_statistics.pm line 911

We've been investigating this error, opting to try the tutorial in the
installation directory. We copied the files to a writable directory and
tried to run the example without modifying anything in the input file (The
tutorial being examples 5 and 6, found in
$AMBERHOME/src/mm_pbsa/Examples/05_MMPBSA_Decomp_Residue)

When she runs this, she gets the exact same error. Does anybody have any
insight regarding this?

Thank you very much!

Zach Hartman

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