[gmx-users] help

Justin Lemkul jalemkul at vt.edu
Tue Feb 26 14:01:08 CET 2013

On 2/26/13 7:46 AM, Sjøli Stian wrote:
> dear gmx-users,
> this is a stupid question (and partially a test of use). I cant find any information on how to use/modify maxvarn as a parameter for grompp. Can you point to examples or literature?

Consider the help text:

-maxwarn     int    0       Number of allowed warnings during input
                             processing. Not for normal use and may generate
                             unstable systems

This tells you the name of the option, that it takes an integer argument, and 
that the default value is zero (i.e., do not bypass warnings).  If you want to 
bypass one warning:

grompp -maxwarn 1

Note that one should not normally use this option.  There is one case I can 
think of where it is useful, and about a thousand others where it will cause 
unreliable simulations.  If grompp is telling you something is wrong, heed its 



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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