Dear All
I am facing a problem in gromacs............after running MD in water for a a
linear peptide
steps i did...
1. created a box of dimensions 0.9nm , added water molecules
2. did energy minimization
3. Position rest MD for 20ns
4. Production MD for 1ns
But it ends with segmentation fault.....while checking the log file it showed
that box exploded........so i again started the run by decreasing the box
dimensions to 0.85nm. systen is again showing segmentation fault but no
information is specified in the log file.
Please guide.
Thanks in advance
Priya
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