Re: [AMBER] Implicit solvation method giving the error number of triangulated 3-point waters found: 0

From: Ramin Salimi <ramin.salimi01.utrgv.edu>
Date: Wed, 17 May 2017 20:25:19 +0000

Hi

No, it did not give this as error.

I thought that because I am running implicit solvation, it has nothing to do with water, or number of triangulated 3-point water, no?

Apart from that, do we need to keep the box coordinate info if we wanna create a pdb out of a solvated trajectory frame to run an implicit solvation MD?

Ramin

________________________________
From: Adrian Roitberg <roitberg.ufl.edu>
Sent: Wednesday, May 17, 2017 2:53:28 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Implicit solvation method giving the error number of triangulated 3-point waters found: 0

Why do you call this an error ?

Does it say 'error' in the message?

Otherwise it is just an output message.

adrian



On 5/17/17 3:51 PM, Ramin Salimi wrote:
> Dear All
>
> I am running implicit solvation MD but it gives me the error: ''number of triangulated 3-point waters found: 0''. And after it gives this error, it types ''using Carbon SA parm for atom typeIP'' for many lines and it appears that it is continuing the simulation.
>
> I have read the previous posts on this very error but my question is if this is in implicit solvation, why does it would want to recognize water?
>
> Is this error important? I mean with this error, as I explained, are the results(output files) valid?
>
> I appreciate any help
>
> Ramin
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Wed May 17 2017 - 13:30:03 PDT
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