VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Fri Dec 21 2018 - 11:08:31 CST

Hi Somnath,

Add water parameters. Every atomtype in your system needs parameters to go along with them, and unlike CHARMM27, CHARMM36 separates protein and water parameters into independent files. Look for toppar_water_ions.str (or something similar to that. I'm working from memory).

-Josh

On 2018-12-21 09:50:22-07:00 owner-vmd-l_at_ks.uiuc.edu wrote:

Dear Sir,

I am trying to use MDFF through VMD. At final stage when I am using following commands, getting an error:

/prog/local/NAMD/NAMD_2.13_MacOSX-x86_64-multicore/namd2 adk-step1.namd > adk-step1.log

------------- Processor 0 Exiting: Called CmiAbort ------------

Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

Charm++ fatal error:

FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

Abort

Can anyone help me to resolve this problem?

Thanks,

Somnath