[gmx-users] Problem in generation of tpr file

[Justin Lemkul]

Please don't respond to the entire digest, and if you're actively asking 
questions, I suggest changing your list subscription to receive 
individual emails.

On 6/11/18 6:51 AM, Rahma Dahmani wrote:
> sorry, i am new Gromacs user, where i can find the warning text ?

grompp prints very clear and obvious WARNINGs to the terminal. Read what 
it says.

I disagree with Alex's suggestion that using -maxwarn might be 
appropriate. There's basically only one case I can think of when this is 
ever reasonable, yet I see people get in trouble all the time when they 
start making a habit of using -maxwarn. grompp is trying to tell you 
that what you are doing is physically unreasonable. Don't ignore it.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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