Hi all, Using the last frame of a 300ns simulated at 298.1K and it's CPT file I would like to start an annealing simulation, so, I used gmx gromp -t case.cpt and here is a part of output of gromp:
Simulated annealing for group Other: Single, 6 timepoints Time (ps) Temperature (K) 000000.0 298.1 ----------->>> *A* 300000.0 298.1 ----------->>> *B* 312000.0 433.1 462000.0 433.1 502000.0 298.1 600000.0- 298.1 Will read whole trajectory Last frame -1 time 300000.000 Using frame at t = 300000 ps Starting time for run is 0 ps So, according to above, I am confused if the simulation would start from A or B pointed out above? I like it to start from B, and considering the CPT file, but later I don't want to append in mdrun. Thank you Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
