Hei, I want to simulate a protein that contains two cuban clusters with gromacs, so I want to know which forcefield is recommended to use for Fe-S compounds. On the other hand I can use Gaussian software using the UFF forcefield. Because i am new to this field (master student doing an internship) I would like to know which is better to use, it's only to treat the whole protein plus clusters mechanically. Later I will use Oniom methods with gaussian.
Hope someone has the answer... :) Stefan -- "Ein Herz für Kinder" - Ihre Spende hilft! Aktion: www.deutschlandsegelt.de Unser Dankeschön: Ihr Name auf dem Segel der 1. deutschen America's Cup-Yacht! _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
