AMBER Archive (2006)

Subject: AMBER: MM-GBSA decomposition

From: sishi.tang_at_utoronto.ca
Date: Thu Apr 06 2006 - 15:20:36 CDT

Hi all,

I'm trying to be MM-GBSA based free energy decomposition. The method works in
general but fails for one specific residue. An error was given as follows:

 Argument " Missing BGB for GB in 1+1 (residue 3" isn't numeric in add at
/aspirin/software/amber7/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 1482,
<IN> chunk 18.
1)

Does anyone have any idea what this means or how to solve it?

Thanks,
Sishi.

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