I do have constraints, all the bond lengths are fixed and they are specified in the topology file. Am I doing something wrong? I copy here the definition of one of the models I use. I also tried using in the input the line:
constraints = all-bonds instead of constraints = none with the same result <http://gromacs.5086.n6.nabble.com/file/n5003394/Clipboard.jpg> -- View this message in context: http://gromacs.5086.n6.nabble.com/Potential-energy-from-a-previous-configuration-mismatch-tp5003352p5003394.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
