<P>
<BR>
Hi,<BR>
I am new to Replica exchange molecular dynamics. <BR>
I obtained the optimal temperature distribution based on the lowest and highest <BR>
tempearture and exchange probability from the REMD caclulator , available through the <BR>
gromacs homepage.<BR>
There were 17 temperaure values as output. I prepared 17 ".tpr" files based on the <BR>
temperatures.<BR>
What I want to know is that at each attempted step of replica exchange, how many pairs of <BR>
replicas will be exchanged, and how this is decided?<BR>
<BR>
Thanks in advance,<BR>
Sarbani<BR>
</P>
<br><br>
<Table border=0 Width=644 Height=57 cellspacing=0 cellpadding=0 style='font-family:Verdana;font-size:11px;line-height:15px;'><TR><td><a href='http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198@Middle5/2206641_2199021/2201650/1?PARTNER=3&OAS_QUERY=null' target=new ><img src ='http://imadworks.rediff.com/cgi-bin/AdWorks/adimage.cgi/2206641_2199021/creative_2201650.gif' alt='Rediff Shopping ' border=0></a></td></TR></Table>