Anushree Tripathi wrote:
While running the command for NVT equilibration,I am getting one warning
for nvt.mdp i.e., The sum of the two largest charge group
radii(2.334343) is larger than rlist (1.000000).But it is working and
generating nvt.tpr when I am using -maxwarn option.should I avoid this
warning.Otherwise what to do to get output without warning.Kindly guide me.
http://www.gromacs.org/Documentation/Errors#The_sum_of_the_two_largest_charge_group_radii_(X)_is_larger_than.c2.a0rlist_-_rvdw.2frcoulomb
The -maxwarn option should almost never be invoked. The results of a forced
grompp execution are often unpredictable or unstable. The error messages exist
for a reason.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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