dear gromacs guys, trying to do some simulations using gromacs i used pdb2gmx as the first step of all of my work. i use the following command and the oplsaa forcefield. pdb2gmx -ignh -missing -ff oplsaa -f $1 -o $1.gro -p $1.top
running the pdb2gmx program there always occurs the same warning message: Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/ffoplsaa.rtp Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/aminoacids.dat WARNING: all CONECT records are ignored Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/xlateat.dat 26 out of 26 lines of xlateat.dat converted succesfully All occupancies are one . . . How can i fix this warning ? i have no idea. and i want to have this warning fixed before i start the time consuming simulation parts. if anyone has an idea, please be so kind and give me a yell. otherwise i cannot go on with simulation. thanks a lot and have a nice day. greetings joern _______________________________________________ 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
