[gmx-users] hi

PAVAN RELISH DESTINY RESOLVING CRUX OF LIFE......... pavanapex at gmail.com
Wed Nov 25 08:59:00 CET 2009


             I am new to Gromacs & using it with Amber force field amber03,
             i am able 2 run my system of DNA till steepest descent but when
i tried to run it for cg it showed
             that can not work with so much of  constrains so i tried to run
it with -Dposres
             directly to mdrun with md integrator it showed an error message
"wrote pdb files with previous & current
             co-ordinate segmentation fault."
                                                         how can i modify my
mdp file to overcome this problem ?
              which mdp options needs to be modified ? or anythng else that
you suggests..........



                                      thanking you
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