[gmx-users] problem with extended run using grompp

Justin A. Lemkul jalemkul at vt.edu
Mon Nov 5 12:48:05 CET 2007

Try using 'tinit' instead of 't_init'


Quoting sarbani chattopadhyay <sarbani_c84 at rediffmail.com>:

> Hi,
>    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.


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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