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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
