Hello, when I follow http://cs86.com/CNSE/SWNT.htm and ran:
x2top -f SWNT_6_6_144.pdb -o SWNT_6_6_144.top -r SWNT_6_6_144.rtp I got the following message: Can not find forcefield for atom C-143 with 2 bonds Can not find forcefield for atom C-144 with 2 bonds ------------------------------------------------------- Program x2top, VERSION 3.3.3 Source code file: x2top.c, line: 206 Fatal error: Could only find a forcefield type for 0 out of 144 atoms ------------------------------------------------------- Could you please tell me what is the problem? Thank you very much! Jue Message: 4 Date: Mon, 21 Apr 2008 13:21:12 -0400 From: "Justin A. Lemkul" <[EMAIL PROTECTED]> Subject: Re: [gmx-users] CNT To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset=ISO-8859-1 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
