Keunwan Park wrote: > Dear all > > I use index file to make residue group and run g_mdmat function with the > ndx file. > > For example, the residue groups are composed of 8 residues and the > program said ... > -------------------------------------------------------------------------- > Selected 10: 'r_81_r_82_r_83_r_102_r_111_r_149_r_178_r_182' > There are 182 residues with 100 atoms > -------------------------------------------------------------------------- > > Why the program recognize 182 as a total residue number instead of 8 ? > PixMap matrix file also show 182 residues.
Were there 182 residues originally? > How do I draw the matrix file with 8 residues ? You can use modes of trjconv and tpbconv to make trajectory and run input files for only this subset of the residues and give those as input to g_mdmat. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
