rams.crux at gmail.com
Tue Jun 24 22:41:47 CEST 2008
Dear Gromacs Users,
I have a problem in running the energy minimization of a protein along with
a substrate. In the .mdp file, if I use constraints = all-bonds, the system
complains like the convergence is reached to system accuracy not to the one
I mentioned. If I replace the constraints = none, its running well. I would
like to know how serious it is to replace all-bonds constraints with none.
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