Spike during minimization of protein with water

From: Per Jr. Greisen (greisen_at_binf.ku.dk)
Date: Fri May 26 2006 - 02:47:01 CDT

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Hi

I am minimizing a protein and has solvated it - during the minimization
there are a lot of spikes for the total energi:

1. Is there a way to determine which atoms contribute to these big
fluctuations.

2. And how to fix the problem

Thanks in advance

-- 
Best Regards
Per Jr. Greisen

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