| 842 |
|
"TraPPE_Ex bond structures read successfully." ); |
| 843 |
|
MPIcheckPoint(); |
| 844 |
|
|
| 845 |
< |
currentBondType = headBondType; |
| 845 |
> |
currentBondType = headBondType->next; |
| 846 |
|
while( currentBondType != NULL ){ |
| 847 |
|
currentBondType->duplicate( bondInfo ); |
| 848 |
|
sendFrcStruct( &bondInfo, mpiBondStructType ); |
| 857 |
|
|
| 858 |
|
// listen for node 0 to send out the force params |
| 859 |
|
|
| 860 |
< |
MPIcheckPoint(); |
| 860 |
> |
MPIcheckPoint(); |
| 861 |
|
|
| 862 |
|
headBondType = new LinkedBondType; |
| 863 |
|
recieveFrcStruct( &bondInfo, mpiBondStructType ); |
| 920 |
|
"TraPPE_Ex bend structures read successfully." ); |
| 921 |
|
MPIcheckPoint(); |
| 922 |
|
|
| 923 |
< |
currentBendType = headBendType; |
| 923 |
> |
currentBendType = headBendType->next; |
| 924 |
|
while( currentBendType != NULL ){ |
| 925 |
|
currentBendType->duplicate( bendInfo ); |
| 926 |
|
sendFrcStruct( &bendInfo, mpiBendStructType ); |
| 1000 |
|
"TraPPE_Ex torsion structures read successfully." ); |
| 1001 |
|
MPIcheckPoint(); |
| 1002 |
|
|
| 1003 |
< |
currentTorsionType = headTorsionType; |
| 1003 |
> |
currentTorsionType = headTorsionType->next; |
| 1004 |
|
while( currentTorsionType != NULL ){ |
| 1005 |
|
currentTorsionType->duplicate( torsionInfo ); |
| 1006 |
|
sendFrcStruct( &torsionInfo, mpiTorsionStructType ); |