[gmx-users] problem with extended run using grompp

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Mon Nov 5 09:00:42 CET 2007

   I used 'grompp' to get the '.tpr' file for extending my run. I had provided the trajectory file 
, energy file for the previous run and gave the value of the last step of the previous run for 
the 'init_step ' and the last time step for the ' t_init' and turned 'unconstrained start'= yes
and the 'gen_vel' = no in the '.mdp' file.
   However, when I check the 'md.log' file for the extended run , I find that the initial time is 
not read correctly, though the the initial step is read correctly
                             Can any one suggest the reason for this?

Thanks in advance.
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