Hi,<br><br>if you want to calculate the potential of some groups (0, 3, 11), using make_ndx to creat a new group consisting of these groups. Then running g_potential.<br><br>Cuong<br><br><br><br><div class="gmail_quote">2012/5/16 Andrew DeYoung <span dir="ltr"><<a href="mailto:adeyoung@andrew.cmu.edu" target="_blank">adeyoung@andrew.cmu.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
I am using the utility g_potential. It takes (among other files) an index<br>
file. At the beginning of the run, it prompts me for a selection from the<br>
index file. Is it possible to make more than one selection, such that the<br>
potential is calculated for each selection, _separately_? If I enter<br>
something like this:<br>
<br>
0 3 11<br>
<br>
The output seems to only include the potential due to the first selection<br>
("0") and seems to ignore the others.<br>
<br>
Thanks for your time!<br>
<span class="HOEnZb"><font color="#888888"><br>
Andrew DeYoung<br>
Carnegie Mellon University<br>
<br>
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