[gmx-users] Re: Potential energy from a previous configuration mismatch

[escajarro]

I do have constraints, all the bond lengths are fixed and they are specified
in the topology file. Am I doing something wrong? I copy here the definition
of one of the models I use. I also tried using in the input the line:

constraints              = all-bonds

instead of 

constraints              = none

with the same result

<http://gromacs.5086.n6.nabble.com/file/n5003394/Clipboard.jpg> 



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