[gmx-users] (no subject)

shakuntala dhurua madhu.dhurua94 at gmail.com
Thu Nov 7 15:11:06 CET 2019


I would like to calculate rmsd of protein system, but there is much time
taking for trjcat of all simulated trajectories (.trr file) then generated
.xtc file by using -center -pbc mol flag. from this .xtc file i use to
calculate rms value by using flag g_rms -f .xtc -s .tpr -n .ndx -o .xvg I
want to ask here is any other way is available to directly calculate rmsd
without using trjcat or less time taking method.


More information about the gromacs.org_gmx-users mailing list