Hi Everyone, I need your help in the following matter. How do I generate a .gro file from a pdb file where I added an oxygen atom to one of the residue?
I get the following error message when I run pdb2gmx: ======================================= Program pdb2gmx, VERSION 3.3.1 Source code file: resall.c, line: 438 Fatal error: Residue '' not found in residue topology database ======================================== I appreciate any help here. Sincerely, Luciano Dr. Luciano Triguero College of Art and Science Department of Chemistry Cox Science Building 1301 Memorial Drive, Room 146 P.O Box 249118 Coral Gables, FL 33124-0431 Cellular: 305-904-2419 Office: 305-284-3938 -----Original Message----- From: [EMAIL PROTECTED] on behalf of [EMAIL PROTECTED] Sent: Fri 2/23/2007 4:20 PM To: Triguero, Luciano O Subject: confirm b8025838efdf752ad8c0a2373dbf6dc10021d426 Mailing list subscription confirmation notice for mailing list gmx-users We have received a request from macintosh.artsci.miami.edu for subscription of your email address, "[EMAIL PROTECTED]", to the [email protected] mailing list. To confirm that you want to be added to this mailing list, simply reply to this message, keeping the Subject: header intact. Or visit this web page: http://www.gromacs.org/mailman/confirm/gmx-users/b8025838efdf752ad8c0a2373dbf6dc10021d426 Or include the following line -- and only the following line -- in a message to [EMAIL PROTECTED]: confirm b8025838efdf752ad8c0a2373dbf6dc10021d426 Note that simply sending a `reply' to this message should work from most mail readers, since that usually leaves the Subject: line in the right form (additional "Re:" text in the Subject: is okay). If you do not wish to be subscribed from this list, please simply disregard this message. If you think you are being maliciously subscribed to the list, or have any other questions, send them to [EMAIL PROTECTED] _______________________________________________ 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
