Dear Chris,
>
> I have problems for my new system. I am building a new system with Eu3+ and Cl-. I have checked frcmod.ions34lsm_1264_tip3p and found EU3.
>
>
> In parmed.py, I used "add12_6_4 :Eu3+,Cl-" command. But I got a all zero result as below. Does this mean Eu3+ does not support LJ1264? Or did I do something wrong? Or is this a normal output?
>
>
The 12-6-4 model of Eu3+ is supported by ParmEd. Does the Eu3+ and Cl- ions in your PDB file use the residue names as “Eu3+” and “Cl-“ respectively? And which version of AmberTools did you use?
Pengfei
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Received on Tue Jan 26 2016 - 09:00:06 PST
