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,
Pengfei
> On Feb 21, 2017, at 7:42 AM, 杨金鹏 <1507110130.csu.edu.cn> 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
