(unknown charset) [AMBER] ParmEd problem: LJ12_6_4Error: Could not find parameters for ATOM_TYPE CL

From: (unknown charset) 杨金鹏 <1507110130.csu.edu.cn>
Date: Tue, 21 Feb 2017 21:42:20 +0800 (GMT+08:00)

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 - 06:00:04 PST
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