I did add the resname in aminoacids.dat and also change the the number on the top. It still complains same thing. It is H atom type also name H (connecting to N) in the new amino acid like the regular amino acid, and has nothing to do with H1 at all.
Thanks, Liu, Yuemin --- Yang Ye <[EMAIL PROTECTED]> wrote: > 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 > __________________________________________________ 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
