[gmx-users] Problem in generation of tpr file
nedomacho at gmail.com
Mon Jun 11 20:43:01 CEST 2018
To be clear, I did suggest ignoring it _only_ if the warning is: a)
understood, b) of known origin, and c) harmless. I am not sure what's
your one case is when ignoring warnings is appropriate, but I routinely
use '-maxwarn 10,' because I have a bunch of bonded parameters that
override default stuff in ffbonded for DNA (I think this customization
came from Tsjerk Wassenaar when we collaborated). The warnings appear
even when no DNA is present in the system, but in either case I know
exactly what I am doing.
In no way should new users interpret my suggestion as "it is okay to
ignore grompp warnings." It is NOT okay to ignore them.
On 6/11/2018 6:04 AM, Justin Lemkul wrote:
> 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.
More information about the gromacs.org_gmx-users