<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Hi,</div><div><br></div><div> I am planning to run replica exchange simulation using gromacs 4.0.7 . I have read the manual about REMD. Only thing I wanted to know is that how I can specify the name of host-machines where I am planning to run the simulations. </div><div><br></div><div>I have 10 different quad-core computers each intra-connected with the other each running OPENMPI. I want to run 20 replica each using 2 cores in parallel.</div><div><br></div><div>So, I was wondering whether I have to create any file containing the names of those machines . If so, can someone give an example of format of the file which contain those names ? Finally, what keyword I should use in mdrun to specify that file for running replica exchange. </div><div><br></div><div>Also, I
am not using any PBS for submitting jobs.</div><div><br></div><div>Sanku</div><div><br></div><div><br></div><div><br></div><div> </div><div style="position:fixed"></div>
</div></body></html>