Hi, after spending a long time with a seemingly wrong result with g_dist, I discovered that g_dist actually uses pbc and nearest image convention to calculate the distance.
As a result, the end-to-end distance of my polymer chain is calculated as 1.5 nm, while actually it should be 12.44 nm (box length = 13.9422 nm). Since I am interested in the end-to-end distance of the single polymer chain irrespective of the position of the two ends, I would like to know what would be the best way to go about it. I hope I could explain my problem. Thanks and regards, Suman. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
