nq = 0;
nlj = 0;
*bChargePerturbed = FALSE;
+ *bTypePerturbed = FALSE;
for (mb = 0; mb < mtop->nmolblock; mb++)
{
molt = &mtop->moltype[mtop->molblock[mb].type];
nqlj = 0;
nq = 0;
*bChargePerturbed = FALSE;
+ *bTypePerturbed = FALSE;
for (mb = 0; mb < mtop->nmolblock; mb++)
{
molt = &mtop->moltype[mtop->molblock[mb].type];