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Fixed twin-range + freeze + constraints
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
update.c
diff --git
a/src/gromacs/mdlib/update.c
b/src/gromacs/mdlib/update.c
index 93b7f59c1ec4dc7faffce100b5b1f1f51920c478..c4bdfe3892908ec4b191ae80967367bb469df2a7 100644
(file)
--- a/
src/gromacs/mdlib/update.c
+++ b/
src/gromacs/mdlib/update.c
@@
-1515,6
+1515,10
@@
static void combine_forces(gmx_update_t upd,
{
xp[i][d] = state->x[i][d] + fac*f_lr[i][d]*md->invmass[i];
}
+ else
+ {
+ xp[i][d] = state->x[i][d];
+ }
}
}
constrain(NULL, FALSE, FALSE, constr, idef, ir, NULL, cr, step, 0, 1.0, md,