Collins Nganou wrote:
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.
did you set integrator = nm in your mdp file?
thanks a lot for your help
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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