I think we have understood the problem...if it's not true I will write again...
Thanks. Velia Minicozzi On Wed, June 11, 2008 12:12 pm, Velia Minicozzi said: > Hi, > I am trying to run gromacs using CHARMM force field. I downloaded > "charmm_gromacs.tar.gz" file and I followed the instruction, that housed > in "readme-charmmed-gromacs". I runned the command: > pdb2gmx -ter -f <filename.pdb> -o <filename.gro> -p <filename.top>, using > as input file the *.gro file of the example, but the following error > message is coming: > > "Program pdb2gmx, VERSION 3.3.1 > Source code file: ter_db.c, line: 85 > > Fatal error: > Reading Termini Database: expected 3 items of atom data in stead of 1 on > line > N NH3 14.0027 -0.3000" > > Thank you for reply. > > Velia > > -- > > Velia Minicozzi, Physics Dept., University of Rome Tor Vergata > Via della Ricerca Scientifica, 1 - 00133 Roma > tel: +39 0672594554 - fax: +39 06 2023507 > _______________________________________________ > gmx-users mailing list [email protected] > 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 > ********************************* Velia Minicozzi Department of Physics University of Rome "Tor Vergata" Via della Ricerca Scientifica, 1 00133 Rome - Italy tel. +39 06 72594554 fax. +39 06 2023507 http://biophys.roma2.infn.it/ ********************************* _______________________________________________ gmx-users mailing list [email protected] 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
