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
warning(s).
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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