VMD-L Mailing List

From: Ryan McGreevy (ryanmcgreevy_at_ks.uiuc.edu)
Date: Fri Dec 21 2018 - 10:44:42 CST

Make sure the parameters files you are running namd with match the topology
files you used to create your psf.

On Fri, Dec 21, 2018, 10:40 AM Somnath Dutta <somnath_at_iisc.ac.in> 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
>
>