Dear all,
After the energy minimisation calculation, I plotted the (energy vs time) profile for some structures with the ener.xvg file.
However, of all the energy minimised structures I have, one did not work.
I have been trying to convert the energy minimised file "ener.edr" to "ener.xvg" using the command: g_energy_mpi -f ener.edr -o ener.xvg
As the same procedure worked for all my other structures, this fatal error read:
Program g_energy_mpi, VERSION 5.0
Source code file: /home/choimin/Gromacs/gromacs-5.0/src/gromacs/fileio/enxio.c, line: 822
Fatal error:
Energy file ener.edr not recognized, maybe different CPU?
The xvg file was successfully produced for other structures, why did it fail on this particular system?
Regards,
Kester
-- 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.
