Dear Users.<br><br> Greetings.<br> <br>I want the perform hessian matrix with mdrun by option -mtx nm.mtx,<br>But I didn't receive a out put nm.mtx<br>I run this command after minimization of my structure.<br><br>Can you help me to understand why mdrun didn't give me a output nm.mtx <br>
for Hessian but only traj.trr.<br><br>thanks a lot for your help<br>