Hello Parthiban, Can you elaborate more on the 'wrong answer'? Perhaps the following link can shed some light on the 'wrong' answer: http://lists.gromacs.org/pipermail/gmx-users/2009-March/040276.html [Deals with g_dist and PBC]
Regards, -Shay Quoting parthi...@ncbs.res.in:
Hello, Can anyone tell, how to index two specific atoms, (one form protein and one from ligand) eg; 440th atom of protein & 450th atom of small molecule or OED of small molecule. My second question is: how to calculate the distance b/w these two atoms. i tried g_dist by including the indexed file with this, but the graph displays a wrong answer. thanks In advance. Parthiban. -- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
