<div>You must define residue name "UNK" in your topology file.</div> <div> </div> <div><BR><BR><B><I>Hero <cjt0610@yahoo.com></I></B> schrieb:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Hello,<BR><BR>I plan to insert water molecules into a Single Wall NanoTube,<BR>I have generated the structure file of SWNT, but when I use:<BR><BR>pdb2gmx -f SWNT_6_6_144.pdb -p SWNT.top -o SWNT.gro<BR><BR>to form the gro file, I got the following error:<BR><BR>Fatal error:<BR>Residue 'UNK' not found in residue topology database<BR><BR>Could you please help me out?<BR><BR>Thank you very much!<BR><BR>Jue<BR><BR><BR><BR><BR>____________________________________________________________________________________<BR>Be a better friend, newshound, and <BR>know-it-all with Yahoo! Mobile. Try it now. http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ<BR>_______________________________________________<BR>gmx-users
mailing list gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please search the archive at http://www.gromacs.org/search before posting!<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.<BR>Can't post? Read http://www.gromacs.org/mailing_lists/users.php<BR></BLOCKQUOTE><BR><p> 
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