[gmx-users] Hessian matrix calculation

Collins Nganou nganoucollins at gmail.com
Sat May 24 08:24:27 CEST 2008


Dear Users.

  Greetings.

I want the perform hessian matrix with mdrun by option -mtx nm.mtx,
But I didn't receive a out put nm.mtx
I run this command after minimization of my structure.

Can you help me to understand why  mdrun  didn't give  me  a  output  nm.mtx

for Hessian but only traj.trr.

thanks a lot for your help
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