[gmx-users] NMA Hessian Sub-matrix

[luca maggi]

Dear Gmx-User,


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


Luca