* umbrella sampling simulations. */
static void copyEvecReference(t_eigvec* floodvecs)
{
- int i;
+ int i;
+
+ if (NULL==floodvecs->refproj0)
+ snew(floodvecs->refproj0, floodvecs->neig);
- for (i=0; i<floodvecs->neig; i++)
- {
- floodvecs->refproj0[i] = floodvecs->refproj[i];
- }
+ for (i=0; i<floodvecs->neig; i++)
+ {
+ floodvecs->refproj0[i] = floodvecs->refproj[i];
+ }
}