Please keep all Gromacs-related correspondence on the gmx-users list. I am not a private tutor. I am CC'ing the message there and would ask that any future correspondence be conducted there.
You're providing an energy file while changing your thermostat. grompp expects that all energy terms will be present for the settings therein. The better approach is to simply provide a .cpt file to the -t flag of grompp instead of .trr/.edr files. -Justin Quoting Ö£²©âý <2009001...@grad.buct.edu.cn>: > Dear Justin. > Im a student from BUCT china. > After I input this :"grompp -f md.mdp -c npt.gro -t npt.trr -e npt.edr -p > topol.top -n index.ndx -o md_0_1.tpr"in the 9th step,there is a error > presenting as below > "source code file :enxio.c ,line :1022 > fatal error: > could not find energy term named 'Xi-0-Protein'?" > Please tell me how handle it? > ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
