Hi everyone,
i am generating parameters for my receptor and ligand complex system.
In my ligand I have Chlorine attached to it,
In my complex file I have chlorine denoted by
HETATM 22 CL1 SSS 1 31.909 25.121 -12.323 1.00 0.00 Cl
When I generate frcmod file it has
c1-c2-cl 64.929 115.520 Calculated with empirical approach
In my library file I have
"Cl1" "cl" 0 1 131072 22 6 -0.002000
But after solvating the system when I am generating the complex pdb and viewing in chimera I cannot see green color for Chlorine, it looks like carbon. But when I see the atom nae it says Cl1.
Can any one suggest me where I am doing mistake?
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 02 2017 - 09:30:04 PST
