| version 1.27 | version 1.28 |
|---|
| |
| // not needed without pressure control, since the check is also performed on startup | // not needed without pressure control, since the check is also performed on startup |
| if (!grid->fits_lattice(homePatch->lattice)) { | if (!grid->fits_lattice(homePatch->lattice)) { |
| char errmsg[512]; | char errmsg[512]; |
| if (simParams->gridforcechecksize) { | if (grid->get_checksize()) { |
| sprintf(errmsg, "Warning: Periodic cell basis too small for Gridforce grid %d. Set gridforcechecksize off in configuration file to ignore.\n", gridnum); | sprintf(errmsg, "Warning: Periodic cell basis too small for Gridforce grid %d. Set gridforcechecksize off in configuration file to ignore.\n", gridnum); |
| NAMD_die(errmsg); | NAMD_die(errmsg); |
| } | } |