Re: [gmx-users] remd- Function not implemented

2011-11-03 Thread Mark Abraham
On 3/11/2011 6:15 PM, 杜波 wrote: Dear teacher, when i do remd , the power is off . Then i use the commd " to=21 lamboot mpirun_lam -np $to mdrun_mpi_4.5 -multi $to -replex 100 -nice 0 -cpi state.cpt -s pmma.tpr -o md -c after_md -v " to continue to run the progarm. But there is a Fatal error!!

[gmx-users] remd- Function not implemented

2011-11-03 Thread 杜波
Dear teacher, when i do remd , the power is off . Then i use the commd " to=21 lamboot mpirun_lam -np $to mdrun_mpi_4.5 -multi $to -replex 100 -nice 0 -cpi state.cpt -s pmma.tpr -o md -c after_md -v " to continue to run the progarm. But there is a Fatal error!! Program mdrun_mpi_4.5, VERSION 4.5.5