> > Hi > I have been running exact continuation runs using tpbconv along with the > .edr file. I lost the .edr file to the last run > but I do have the .log file with energy parameters from the same run. Is > there some way to get an exact > exact continuation run with data from the .log file? I am using pressure > coupling.
No - the .log file output is at very different precision. It won't be so different that you enter a different ensemble and need to re-equilibrate, but you will not generate the same trajectory that a real exact restart would do. More pertinent is that there is no method to take those values and put them in an .edr file, or to use anything but an .edr file. So your only option is to restart from the last point you have all the information for. Take care of your data! Mark _______________________________________________ gmx-users mailing list [email protected] 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
