Hello Justin,<br><br>I have read help of the command I am using several times. My understanding is that g_polystat calculates Rg of 8 chains and takes the average if no specific index groups are selected. Below are the groups I have created for 8 chains. <br>
g_polystat -f *.trr -s *.tpr -o polystat-mw-xvgr-8group -n *.ndx -mw -xvgr -w -p persist.xvg<br>then chose 0 1 2 3 4 5 6 7 as se;ected groups. The point is Rg for this 8 molecules is similar to that When I select group 0 only. If Rg is the average of all chians over time why is it giving Rg of first chain?<br>
<br>Also as for persistence lenght -h option says:<br>The chosen index group<br>should consist of atoms that are consecutively bonded in the polymer<br>mainchains. My groups start from atom 1 to 8*362 consecutively... Do you any clue why I am mot getting output file?<br>
<br><br clear="all">Group 0 ( PE60-1) has 362 elements<br>Group 1 ( PE60-2) has 362 elements<br>Group 2 ( PE60-3) has 362 elements<br>Group 3 ( PE60-4) has 362 elements<br>Group 4 ( PE60-5) has 362 elements<br>
Group 5 ( PE60-6) has 362 elements<br>Group 6 ( PE60-7) has 362 elements<br>Group 7 ( PE60-8) has 362 elements<br><br>Thank you<br>