[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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