From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Sat Jan 17 2015 - 19:36:55 CST
If I recall correctly, this comes from the NBFIX terms at the bottom of the water (?) parameter file. You could comment out those lines, just being careful to remember that you did so if you ever do have those atom types.
JC
On Jan 17, 2015, at 8:26 PM, Maria Bykhovskaia <mb.ucdelcaribe_at_gmail.com> wrote:
> Hi,
> I tried to use ChARMM36 force field, and I am getting the message:
>
> FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OC2D2
>
> my system does not have the atom type OC2D2
>
> It runs with Charmm27 without errors. The system includes a protein and membrane with water (TIP3) and ions (POT, CLA, CAL), psf was generated with VMD, and Charmm36 topology was used to build the lipid bilayer.
>
> My input file looks this way:
>
> paraTypeCharmm on
>
> parameters par_all36_lipid.prm
>
> parameters par_all36_prot.prm
>
> parameters par_all36_cgenff.prm
>
> parameters toppar_water_ions_namd.str
>
>
> mergeCrossterms yes
>
> Will appreciate any suggestions.
>
> Thanks,
>
> Maria
>
>
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