[gmx-users] segmentation fault

priya priya priyaanand_27 at yahoo.co.in
Tue Feb 27 11:43:06 CET 2007


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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