Thank you,<div><br></div><div>Is it really necessary for me to use Charmm FF for all atom calculations on lipids? </div><div><br></div><div>The reason I am asking this is because it will require me to create gromacs compatible FF files of the Charmm FF . I did find two perl scripts which can do probably handle that but i am wondering if the compatible FF are already up on gromacs website somewhere.<br>
<br></div><div><br></div><div>amit</div><div><br></div><div><br><div class="gmail_quote">2009/10/14 LuLanyuan <span dir="ltr"><<a href="mailto:lulanyuan@msn.com">lulanyuan@msn.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div>
Hi,<br>You can find some configurations here:<br><a href="http://persweb.wabash.edu/facstaff/fellers/" target="_blank">http://persweb.wabash.edu/facstaff/fellers/</a><br>And I think you can use Charmm FF.<br>Lanyuan<br><br>
<hr>Date: Wed, 14 Oct 2009 11:29:26 -0700<br>From: <a href="mailto:kgp.amit@gmail.com" target="_blank">kgp.amit@gmail.com</a><br>To: <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>Subject: [gmx-users] question about all atoms lipid molecule structure and force field<div>
<div></div><div class="h5"><br><br>Dear all,<div><br></div><div>I have been trying to search for an all atom DPPC sructure (including the missing Hydrogens of long chain hydrocarbons) and then do an all atoms md simulation on it. I havent yet found any such structure or any force field that could be used for it on the internet. Is anybody familiar with any such work ?</div>
<div><br></div><div>Is there any all atom model for hydrocarbons which is incorporated in Gromacs? I am not 100 % sure about it.</div><div><br></div><div>I want to do this to parametrize another force field which essentially uses all atom model.</div>
<div><br></div><div>Thank you,</div><div>Amit</div> <br></div></div><hr>Messenger保护盾2.0，更安全可靠的Messenger聊天！ <a href="http://im.live.cn/safe/" target="_blank">现在就下载！</a></div>
<br>_______________________________________________<br>
gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
Please don't post (un)subscribe requests to the list. Use the<br>
www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>
Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br></blockquote></div><br></div>