Re: [AMBER] ParmEd problem: LJ12_6_4Error: Could not find parameters for ATOM_TYPE CL

From: Pengfei Li <>
Date: Tue, 21 Feb 2017 15:33:46 -0600

Hi Jinpeng,

This is because in the AMBER force field, atom types “Cl” or “cl” other than “CL” are usually used for the Cl atoms.

Please add the following line: “CL 1.91 From Applequist et al. JACS,94,2952(1972)” into the $AMBERHOME/dat/leap/parm/lj_1264_pol.dat file and try to perform the command again. Let me know whether it works.

Kind regards,

> On Feb 21, 2017, at 7:42 AM, 杨金鹏 <> wrote:
> Dear professor :
> I'm having problems with parmed. when i used parmed to add 12-6-4 Lennard-Jones potential for Cu2+, the wrong is shown as below:
> Loading restart file Cu_AMPA_interface.inpcrd
> Files are overwritable
> Adding Lennard-Jones C-coefficient for 12-6-4 potential. Polarizabilities read from [/home/jay/amber14/dat/leap/parm/lj_1264_pol.dat]. Using default C4 parameters for water model [SPCE].
> ***********************************************************
> The selected metal ion is Cu
> Action add12_6_4 failed
> LJ12_6_4Error: Could not find parameters for ATOM_TYPE CL
> However, there was not any wrong when I used Leap to make prmtop and inpcrd file. The CL represent Cl of CHCL3 molecule. And the version of AMBER and AMBERTool is 14 and 15,respectively.What should I do ? Your any advise is a great help to me.
> All the best,
> Yang Jinpeng
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Received on Tue Feb 21 2017 - 14:00:03 PST
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