Quoting [EMAIL PROTECTED]: > Hi, everyone: > 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? > Best wishes! > > >
====================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://bevanlab.biochem.vt.edu/Pages/Personal/justin/ ====================== _______________________________________________ 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
