hhhh huan wrote:
Dear gmx users and developers.
I was running a simulation with 5 ns. But it stated "segmentation fault" at time around 1 ns, and the simulation was stopped.
By the way, i faced 2 warning during running the Grompp, it stated there:" warning
1 No default Ryckaert-Bell types, using zeroes"
File 'p1.top' , line 209
warning 2 No default Ryckaert-Bell types, using zeroes"
File 'p1.top' , line 210
i know that thses are the missing force field parameter at the indicated
line,but i keep on running the simulation and the segmentation fault appeared
because i cant find any force field that is suitable for the particular atoms.
However, I manage to finish the energy minimization.
So, is it the segmentation fault has anything to do with the 2 warning? or
there is any other way to solve my problems?
You need to find/develop parameters for the missing dihedral
parameters. Running a simulation with missing information will likely
lead to inaccurate/questionable results.
As for whether that directly lead to the segmentation fault, that's
difficult to diagnose, but I would start by getting the missing
parameters to eliminate it as a possibility.
-Justin
Thanks a lot
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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