Dear colleagues: We have the cartesian coordinates of a micelle in xyz format and haven't been able to build up the .top corresponding file with gromacs package program x2top. There is a confusion on how to feed this program. Is there a document or an example where we can clarify thigs such as: 1. When building the micelle by hand, what force fields are needed? 2. When is it advaisable to use united atoms such as CH3, CH2, etc. and when one should use single atoms? 3. How are atoms names related to the force field?
Thanks a lot in advance, Sincerely Luis Javier Alvarez Laboratorio de Simulación Instituto de Matemáticas, Unidad Cuernavaca Universidad Nacional Autónoma de México -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
