Hi,
I'm running a molecular dynamics simulation on TiO2 and trying to make the converted trajectory file.
After a successful md run,this is my analysis task:
analysis
system TiO2_md
file TiO2_md.trj
copy TiO2.crd
end
task analyze
but I get the following error:
Analysis Module
---------------
Reference coordinates read from TiO2_md.rst
Number of atoms is 1097
At line 260 of file ana_rdtop.F
Fortran runtime error: Bad value during integer read
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