<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>
<div>That works, wish you could choose more force fields in the anti-chamber as a plugin. There's some auxillary scripts also for martini and gromos force fields to .psf but they were mostly for the ff19, so partial atom. They antichamber is probably easier, and if you get something in ff19 (or better 22 as an all atom) you just have to add a few missing hydrogens for the first, etc...the problem I had was the naming schemes go from simple numbers (listed say as angles 1-4-3) to deffinitions, (CA-C-H) so easy to make mistakes...</div>
<div> </div>
<div>Stephan Watkins</div>
<div> </div>
<div> </div>
<div>
<div name="quote" style="margin:10px 5px 5px 10px; padding: 10px 0 10px 10px; border-left:2px solid #C3D9E5; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">
<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Dienstag, 07. Mai 2013 um 01:03 Uhr<br/>
<b>Von:</b> "micheal j twin" <michealj.twin@gmail.com><br/>
<b>An:</b> gmx-users@gromacs.org<br/>
<b>Betreff:</b> Re: [gmx-users] Proteins with ADP & ATP cofactors</div>
<div name="quoted-content">Dear Stephan,<br/>
thank you for your reply.<br/>
<br/>
I'm performing some test with antechamber for a de-novo parametrization,<br/>
hope to see some good results with it.<br/>
<br/>
> You probably have to do a hand job. Look at the .itp/top files and then<br/>
the force field parmeters, here's not many atoms, so it would take only a<br/>
couple hours.<br/>
--<br/>
gmx-users mailing list gmx-users@gromacs.org<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/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/Support/Mailing_Lists/Search</a> 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 <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a></div>
</div>
</div>
</div></div></body></html>