Quoting Hero <[EMAIL PROTECTED]>: > Hello, > > I plan to insert water molecules into a Single Wall NanoTube, > I have generated the structure file of SWNT, but when I use: > > pdb2gmx -f SWNT_6_6_144.pdb -p SWNT.top -o SWNT.gro > > to form the gro file, I got the following error: > > Fatal error: > Residue 'UNK' not found in residue topology database
pdb2gmx is not magic; see here: http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database There is also a very detailed link about CNT preparation that was provided to you earlier across this list: http://cs86.com/CNSE/SWNT.htm -Justin > > Could you please help me out? > > Thank you very much! > > Jue > > > > > > ____________________________________________________________________________________ > Be a better friend, newshound, and > know-it-all with Yahoo! Mobile. Try it now. > http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
