<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Feb 2, 2009, at 10:19 PM, DAVID RINCON wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><table cellspacing="0" cellpadding="0" border="0" style="position: static; z-index: auto; "><tbody><tr><td valign="top" style="font: inherit;">Good afternoon,<br><br>The reason of this email is to ask:<br><br>is it possible to combine Martini's force field with the opls force field?<br><br>The system is conformed by dopc membrane [Modeled by Martini's force field] with a small molecule of about 50 atoms [Modeled with opls. With all its hydrogens].<br><br></td></tr></tbody></table></blockquote>The answer is probably much more close to No than to Yes, but it is not that simple. Let me give</div><div>you some very quick arguments:</div><div>-Yes: because nothing prevent you to actually try it and see what happens. Nobody has </div><div>tried this CG/atomistic mix, yet. Well with Martini. The result is however almost sure it </div><div>will give strange behavior.</div><div>-No: is where you can find much more arguments. First of all the two force fields have not</div><div>been parametrized consistently. Second you'll probalby have problems in defining the </div><div>interactions between the two approches. How the protein will interact with the membrane</div><div>(and water). In Martini the interactions are effective ... </div><div><br></div><div><blockquote type="cite"><table cellspacing="0" cellpadding="0" border="0" style="position: static; z-index: auto; "><tbody><tr><td valign="top" style="font: inherit;">if the answer is 'yes', the next question is 'how?'.<br><br>Thanks for helping me and your time,<br>David Rincon.<br></td></tr></tbody></table><br> _______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at http://www.gromacs.org/search before posting!<br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send it to gmx-users-request@gromacs.org.<br>Can't post? Read http://www.gromacs.org/mailing_lists/users.php</blockquote></div><br></body></html>