[gmx-users] Problem in generation of tpr file
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
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
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.
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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