[gmx-users] forcefield parameter missing

[Simon Kit Sang Chu]

Hi everyone,

I need to add a new residue in my forcefield and borrow the atoms and
parameter from another existing residue. I encounter missing parameter
warning for a number of bonds. However, if I check in .itp, the parameters
exist. Is there something I missed?

Here is an example I encounter.


*Warning*

WARNING 1 [file "P1tail-pace.top", line 824]:
          No default LJ-14 types, using zeroes

*P1tail-pace.top*

[ exclusions ]
[ pairs ]
;  ai    aj funct            c0            c1            c2            c3

    1     7     1
               *  line 827*


*P1tail-pace.top*

[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB
   chargeB      massB
     1         NT      1    VAT    ND2      1          0          6   ;
qtot 0
.
.
.
     7          O      1    VAT      O      4          0         16   ;
qtot 0

*ffPACE_1.3.itp*
[ nonbond-params ]
O  NT    1   0.0    1.70202E-06


I appreciate any suggestion or help.

Regards,
Simon