[gmx-users] NMA Hessian Sub-matrix
maggi_luca at hotmail.it
Sat May 27 20:24:14 CEST 2017
I would like to know if It is possible to calculate just a submatrix of the Hessian matrix during the normal mode analisys??
I have a very large system (protein +membrane + water). I minimized the entire system but I would like to calculate the part of the Hessian matrix related to the protein Degrees of freedom ( actually a submatrix of the total hessian).
Is there some command that I have to write in the mdp file for the normal mode run??
Thank you very much
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