<pre>>The potential looks ok to me.<br>>The potential energy is for the whole system.<br>>Did you think that you would get the average energy per atom (difference of a factor 864)?<br>>Berk.</pre>
Hi Berk:<br clear="all">Yes I did. I thought the energy ,that gromacs
gives, is per atom. Now what you say makes sense. I divided the
potential over 864 (number of atoms ) and I get the potential of the
reference. Thank you very much Berk.<br>-- <br>Cheers, <br> <br>Paul CARDENAS LIZANA<br><a href="mailto:g943189@oz.nthu.edu.tw">g943189@oz.nthu.edu.tw</a> / <a href="mailto:paulclizana@gmail.com">paulclizana@gmail.com
</a><br>National Tsing Hua University (ÇåÈA´óŒW)<br><br>ÖxÖxÄãµÄŽÍæ<br>I appreciate your help. Thanks!<br>Os agradezco la ayuda. Gracias!