All,<br>
<br>
In GROMACS 3.2.1, "mdrun_mpi -multi -np 6 -s test.tpr" would read tpr
files test0.tpr through test6.tpr and spawn independent trajectories
beginning from each tpr file. However, this seems not to work in 3.3 (I
get an error, "Can not open file test.tpr"); it seems to be failing to
add the file indices 0-6 to the end of the tpr files. <br>
<br>
I've compiled on two different platforms (Redhat Fedora Core 4, and SDSC Datastar (AIX)) and I run into this problem on both.<br>
<br>
Has the usage syntax changed for mdrun_mpi for 3.3? Or is this a bug?<br>
<br>
Thanks,<br>
David<br>
<br>