krithika krishnaswamy wrote:
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
This program has limited use for small molecules but definitely not for
a whole simulation system. Please look into other topology generating
tools, e.g. pdb2gmx for proteins.
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
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