> Hi, everyone:<br />I have meet some problem when simulating a protein and > ATP complex. The energy minimization will stop after 14 steps. I had > followed Mark's suggestion, did the protein and ATP eneryg minimization > independently, and  found that the protein can finish its > minimization correctly, but  the  ATP 's minimization stopped > after 14 steps. So it seems that there are something wrong with ATP. And > Mark also said "Probably your topology is broken", what is it > means? What should I do now?
If you're going to quote somebody from here http://www.gromacs.org/pipermail/gmx-users/2007-August/029115.html, don't imply that they made the comment in relation to another post entirely (unless you're trying to annoy them, that is). I replied to the above question on the list yesterday here http://www.gromacs.org/pipermail/gmx-users/2007-August/029132.html Mark _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
