version 1.27 | version 1.28 |
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// 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); |
} | } |