[gmx-users] why the backbone can be broken during MD process

Mark Abraham Mark.Abraham at anu.edu.au
Thu Sep 14 16:32:16 CEST 2006


Fan, Fenghui wrote:
> Dear all,
> 
> Will you please tell me why the backbone can be broken during MD process and how can we fix them?

It can only be broken if you haven't defined it to be whole, or have 
done something mind-numbingly hideous elsewhere :-) Check your .top file

Mark



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