Exactly as you ran the original simulation, plus pass the name of the
latest checkpoint file to -cpi. Back up your files first.
On Sun, Mar 11, 2018 at 6:18 PM Neha Gupta <nehaphysic...@gmail.com> wrote:
> Hi gromacs users,
> I wanted to do simulations fro 50 ns.
> But, due to lack of disk space, it abruptly stopped.
> I have md.xtc, md.cpt, md.log, md_step17960400.cpt, md_prev.cpt.
> How to restart the calculation and complete it successfully?
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