I missed that pull_start = yes, sorry. So Gavin, your run should have
stayed around the starting position. Make the histogram directly and
you should get a better idea.
Chris.
-- original message --
To clarify, the tutorial sets "pull_init1 = 0" because it is used in
conjunction
with "pull_start = yes," in order to take the starting COM distance as the
reference. Check the grompp output to verify that you're getting what
you think
you should be. Otherwise, you'd have to set "pull_start = no" and modify your
.mdp file to reflect the proper value of pull_init1 for every window.
-Justin
--
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
