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 ); |