Hello, I have a problem in the generation of the topology file of a ligand using x2top program..I am using the version 3.3.3 of Gromacs.
Here is the command that i used and the error am getting, x2top -f chop.pdb -o dpppc.top Can not find forcefield for atom OW-16850 with 2 bonds Can not find forcefield for atom OW-16853 with 2 bonds Can not find forcefield for atom OW-16856 with 2 bonds Can not find forcefield for atom HW1-16859 with 0 bonds Can not find forcefield for atom OW-16860 with 2 bonds Can not find forcefield for atom OW-16863 with 2 bonds Can not find forcefield for atom OW-16866 with 2 bonds Can not find forcefield for atom OW-16869 with 1 bonds Can not find forcefield for atom OW-16871 with 2 bonds Can not find forcefield for atom OW-16874 with 2 bonds ------------------------------------------------------- Program x2top, VERSION 3.3.3 Source code file: ../../../../src/kernel/x2top.c, line: 206 Fatal error: Could only find a forcefield type for 8966 out of 16876 atoms _______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
