<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear Andrzej,</span></div><div><br><span></span></div><div><span>I checked all of files and there is no problem in them. I before did it (g_fg2cg) for one surfactant and was performed correctly.</span></div><div><span>I want to calculate the center of mass of atoms in one bead manually (</span>each CG bead is at the center of mass of the FG atoms that map to it) for cg.gro, is it correct?</div><div><br></div><div>Please help me.</div><div>Best Regards</div><div>Dina<br></div><div><br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Andrzej Rzepiela <andruty@gmail.com><br>
<b><span style="font-weight: bold;">To:</span></b> dinadusti@yahoo.com <br> <b><span style="font-weight: bold;">Sent:</span></b> Wednesday, March 7, 2012 1:33 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> g_fg2cg<br> </font> </div> <br>
Hey<br><br>Probably still smth wrong with your input files<br><br>As far as I remember you should have the fg.top with atomistic topology and mapping included, cg topology in e.g cg.top that corresponds to fg.top and fg.gro or xtc file, take a look on all this files and check if everything is consistent<br><br>Andrzej<br><br><br><br>Andrzej Rzepiela<br><a ymailto="mailto:andruty@gmail.com" href="mailto:andruty@gmail.com">andruty@gmail.com</a><br><br><br><br><br><br> </div> </div> </div></body></html>