Re: Reg VDw Parameters

From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Fri Sep 27 2013 - 13:36:47 CDT

On 09/27/2013 12:18 PM, Vidhya Sankar wrote:
> I have go the following error
> DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

I recommend against editing any files. The advice below shoud work.

Does there exist any NAMD FAQ where we can add this?
This is areadly the 4th time in 2 weeks someone asks this question.

------- Original Message --------
Subject: Re: namd-l: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR
ATOM TYPE OT
Date: Wed, 18 Sep 2013 14:50:04 -0400
From: Kenno Vanommeslaeghe <kvanomme_at_rx.umaryland.edu>
To: namd-l_at_ks.uiuc.edu <namd-l_at_ks.uiuc.edu>

(...) The
short story is that the best thing you can do right now is to read *all*
parameter files (even the ones you don't need) into NAMD, per the
instructions on my home page:
http://mackerell.umaryland.edu/~kenno/cgenff/program.html#namd

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