Ramin,
Look at the output files for energy terms such as electrostatic (EEL)
and others, and compare.
Bill
On 6/15/17 9:23 PM, Ramin Salimi wrote:
> Dr. Case
>
> I ran the job in serial sander.
>
> I was not using any other program while seeing this message. In fact, while it was running, it appeared in the terminal. So I was wondering what it was all about.
>
>
> Bill,
>
> how can I get further clues by looking each term individually? I would appreciate if you please explain it a bit so I would better analyze the results?
>
> Thanks
>
> Ramin
>
> ________________________________
> From: David Case <david.case.rutgers.edu>
> Sent: Thursday, June 15, 2017 10:01:43 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Warning during minimization
>
> On Thu, Jun 15, 2017, Ramin Salimi wrote:
>> WARNING **: No offset found for match "n" at page 421 after processing 1
>> results
> Wow...I've never seen this message before, and can't (easily) find the
> corresponding code. Are you sure that this message comes from Amber (and,
> say, not from some other process)? Which program are you using? If this
> is a parallel job, does the behavior change with a serial run? (Or, is
> this a GPU job)?
>
> ....thx...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=02%7C01%7Cramin.salimi01%40utrgv.edu%7Cba95c4dff9484982976708d4b3ff8044%7C990436a687df491c91249afa91f88827%7C0%7C0%7C636331357343944722&sdata=j89EsSYKjdPuXVjsdpobNPn2GQh3r5QKMQsrANPwjTw%3D&reserved=0
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 15 2017 - 21:30:03 PDT
