AMBER Archive (2008)

Subject: AMBER: How to solve - Missing BELE for MM in 1 in amber.

From: Thomas Leonard (thomasj_at_bii.a-star.edu.sg)
Date: Mon Jun 16 2008 - 22:06:01 CDT

I am having the same problem with decomposition analysis.

I would be very grateful if you could provide any help.

I am performing free energy decomposition analysis for a protein-protein
interaction case by mm_gbsa (amber8). The calculation is fine until it
stops writing statistics.out file and gives the following error,

=>> Reading files
    Reading 1_com.all.out
    Reading 1_rec.all.out
    Checking CALC
    Reading 1_lig.all.out
    Missing BELE for MM in 1 (residue 1)

Thomas

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