Hi all,
if i didn't overlooked sth, g_rdf and g_sdf are calculating the function
around an atom or a set/com of a set of atoms. Is there an easy way to
calculate the functions around a specific coordinate?
I am thinking of adding an atom at the specific point to the trajectory but
this would need a recreation of the trajectory and the topology. Is there an
easier way?
Cheers
Martin
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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
