Please check the xlateat.dat file in share/top/ There is one line in it protein HT1 H1
which will automatically change your atom name "HT1" to H1. Best regards Yuguang Dr. Yuguang Mu Assistant Professor School of Biological Sciences Nanyang Technological University 60 Nanyang Drive Singapore 637551 Tel: +65-63162885 Fax: +65-67913856 http://genome.sbs.ntu.edu.sg/Staff/YGMu/index.php -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Yang Ye Sent: Wednesday, January 03, 2007 9:57 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Error when adding a unnatural amio acid You may try add residue name ASO to the end of /top/aminoacids.dat and also increment the number on the top. Regards, Yang Ye On 1/3/2007 8:55 AM, yuemin liu wrote: > Hi, Everyone, > > I got Error when adding a unnatural amio acid in a > protein. I have all the rtp and hdb file modified > using information either from ffgmx.rtp ffgmx.hdb or > thr rtp file form progdrg. There is no H1 in either > rtp file or my new pdb file. When I try use pdb2gmx to > generate top file, it always give the error message > following; > "Atom H1 not found in rtp database in residue ASO, it > looks a bit like H". I know it refers to the Hydrogen > of the peptide bond which has nothing wrong there. > > Hope can get help from you with this, > > Thanks, > > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
