From: Niklaus Johner (niki.johner_at_gmail.com)
Date: Tue Sep 17 2013 - 11:35:45 CDT
This looks like you didn't load the proper parameter files when running your simulations.
Typically when you generate your psf with psfgen (I guess?), you input some topology files for example:
So then in your namd input you need to load the cognate parameter files. Something like:
Otherwise some of the atoms defined in your psf file won't be defined in the parameter files.
Weill Cornell Medical College
Harel Weinstein Lab
Department of Physiology and Biophysics
1300 York Avenue, Room D-501
New York, NY 10065
On Sep 17, 2013, at 12:10 PM, Anna Chailyan wrote:
> After all the previous successful steps finally i have psf file of my complex and now when i try to minimize it i get this message:
> 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
> I am using NAMD_2.9_MacOSX-x86_64-multicore and i wonder why do i get this message now, not when i actually generated psf file.
> Please ! if there is someone that got this problem and knows how to solve it, share it with me!
> Best regards,
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