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

escajarro juan-manuel.castillo at mv.uni-kl.de
Fri Nov 30 14:21:36 CET 2012

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


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