> Another question is, how difficult is it to create the topology for the > molecule by hand for the amber99 force field. Could someone please get me > started on that, if it would be easier. The molecule is a derivative of > cytosine. > I am using GROMACS 4 on Mac OS 10.5
Hi, I would advise to start with X2TOP and CHAPTER 5 of the manual. Vitaly -- Vitaly V. Chaban, Ph.D. School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, cell.: +38-097-8259698 http://www-rmn.univer.kharkov.ua/chaban.html =================================== !!! Looking for a postdoctoral position !!! =================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
