Dear users. I can not execute the following command:
$ gmx grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr The error message that appears is: ------------------------------------------------------------------------------------------------- Program: gmx grompp, version 2019-beta3 Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 1912) Fatal error: Cannot find position restraint file restraint.gro (option -r). >From GROMACS-2018, you need to specify the position restraint coordinate files explicitly to avoid mistakes, although you can still use the same file as you specify for the -c option. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ---------------------------------------------------------------------------------------------------- It was not clear how to generate the restraint.gro file. I hope everyone helps. Kind regards. -- 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.
