[gmx-users] running g_rms from a script

Michael mgang at pob.huji.ac.il
Wed Jun 29 13:32:51 CEST 2005


I have to analyze a complex with 12 helices and want to compare each
helix to itself with thee program g_rms.
Is it possible to specify already from the command line which group
to use as reference structure, how many groups to compare and which
groups to compare ?
This would be very helpful because I could then run the program from
a perl script.

Thanks in Advance,

More information about the gromacs.org_gmx-users mailing list