Dear Gromacs Users! I am a beginner. I am looking for the command line corresponding with nstcheckpoint (control the output of the checkpoint file) in the Gomacs 5.0.4 but I coudn't find. And when I check the log file, I also can not recognize what command line which controls cpt file.
The second question, when I run energy minimization I got only one frame, I try to reduce the frequency saving the coordinates but I still get the same result (it look the control output did not working ). I want to save more frame to see what happen in the energy minimization step . Can some one help me? The third question, I want to generate only the xtc file (I do not want to generate the trr file). What command I need to use for Gromacs 5.0.4 ? (I know the command constxtcout when I search on google, but I can not find the information for it on gromacs manual 5.0.4) Thank you so much and best regards, Tuong Vy -- 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.
