Dear Amber users,
I was trying to add 12-6-4 parameters to Na+ and Cl- ions in the system
containing DNA (bsc1 force field).
The result was
> add12_6_4 .Na+,Cl- watermodel SPCE
Adding Lennard-Jones C-coefficient for 12-6-4 potential. Polarizabilities
read from [/home/nick/amber18/dat/leap/parm/lj_1264_pol.dat]. Using default
C4 parameters for water model [SPCE].
***********************************************************
The selected metal ion is Na
The selected metal ion is Cl
Action add12_6_4 failed
LJ12_6_4Error: Could not find parameters for ATOM_TYPE CE
> quit
Then I decided to experiment and added vdW parameter for CE in the
lj_1264_pol.dat:
CE 1.352
and tried again:
> add12_6_4 .Na+,Cl- watermodel SPCE
Adding Lennard-Jones C-coefficient for 12-6-4 potential. Polarizabilities
read from [/home/nick/amber18/dat/leap/parm/lj_1264_pol.dat]. Using default
C4 parameters for water model [SPCE].
***********************************************************
The selected metal ion is Na
The selected metal ion is Cl
Action add12_6_4 failed
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Received on Mon Oct 08 2018 - 02:30:02 PDT
