From: Per Jr. Greisen (greisen_at_binf.ku.dk)
Date: Fri May 26 2006 - 07:59:27 CDT
Hey,
I have solvated my protein and during my minimization I have a lot of
spikes in the beginning - to around 500 steps. My question is:
1. How to remove the waters that are placed too close to the protein
2. And is it possible to identify the spikes from the minimization?
Thanks in advanced
-- Best Regards Per Jr. Greisen
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