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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Received on Wed Jun 18 2008 - 06:07:38 PDT
