using NAMD with CHARMM36 ff

From: Maria Bykhovskaia (mb.ucdelcaribe_at_gmail.com)
Date: Sat Jan 17 2015 - 19:26:29 CST

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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