Shalom all, I am simulating a protein in which one of the residues is chemically modified (non-natural) - so I had to add it into aminoacids.dat.
I found that when I analyse my results, and use the index group of the protein this amino acid does not count unless the aminoacids.dat file is available in the same folder. Now, I don't think this is a bug - it is perfectly logic that in order to index the protein the program needs to know how amino acid looks like. I just think this should be written somewhere. Cheers, Itamar -- "In theory, there is no difference between theory and practice. But, in practice, there is." - Jan L.A. van de Snepscheut =========================================== | Itamar Kass, Ph.D. | Postdoctoral Research Fellow | | Department of Biochemistry and Molecular Biology | Building 77 Clayton Campus | Wellington Road | Monash University, | Victoria 3800 | Australia | | Tel: +61 3 9902 9376 | Fax: +61 3 9902 9500 | E-mail: itamar.k...@med.monash.edu.au ============================================ -- 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
