[gmx-users] Normal mode analysis of pure water

simon sangma simoniitchem at gmail.com
Tue Oct 20 15:25:52 CEST 2009

Hi  Justin,
                I tried  altering  the  .mdp file  (integrator  =  steep
instead  of nm) for energy  minimization. But in that case the mdrun did not
generate the Hessian matrix (nm.mtx) inspite of using the command twice.
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