[gmx-users] Problem in generation of tpr file

Justin Lemkul jalemkul at vt.edu
Mon Jun 11 14:04:22 CEST 2018

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 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


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