>After every run i am using the output gro file as an input for the next run
Is that all you are using? If that is the case, then not surprising it is starting again. What command line are you using? You have not told it what the starting time is. There is an option in the mdp file if you use that (which in most cases your should). What you should be doing is using tpbconv, feeding it the end .gro, .trr and .edr files to it. That command will take the frame times from the .trr file, then use that to start the next set of simulations. Also, ensure that you are actually saving the .trr with velocities and locations at the end of the initial simulation (and probably a number of times during as well so you don't loose things if it crashes). As the simulation set up by tpbconv will start off at the last spot in the .trr file it can use. If you only saved them at the start of the simulation, then that is where it will start from. Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ 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
