VMD-L Mailing List

From: Pawel Kedzierski (pawel.kedzierski_at_pwr.edu.pl)
Date: Wed Apr 05 2017 - 06:23:50 CDT

W dniu 05.04.2017 o 11:48, Magnus Andersson pisze:
> Hi!
>
> I am getting the following error when running namd:
>
> FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT
> This refers to my C-terminal in the protein.
OT is the type of water oxygen. The C-terminal oxygens have type OC.
You need to provide namd with parameters for water and possibly ions and
lipids, if they are in separate files.

Cheers,
Pawel

> What is strange is that this works fine if I only simulate the protein
> (without lipids, water and ions).