Dear GMX users, I would like to extract the temperatures for specific groups during the simulations. gmx energy gives the system temperature as a function of time. I also tried to get the temperature of a specific group using gmx traj. However, the data of gmx traj much lower values of the system temperatures for any groups in the systems. I also tried to extract GROUP.tpr and GROUP.trr files from original data. Then, I performed rerun for the group. However, these data is more lower than that the data of gmx traj.
I have two questions if possible please advise me. 1. Is it possible to make correction for the data of gmx traj? 2. Are there any other methods for this purpose? Best regards, Mijiddorj -- 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.
