[gmx-users] Extending the REMD

[Mark Abraham]

Hi,

On Sun, Jun 12, 2016 at 3:22 PM YanhuaOuyang <15901283893 at 163.com> wrote:

> Dear Gromacs users,
>
> I want to extend my REMD simulation to another 2 ns after a short REMD is
> completed with Gromacs 5.0.2
>
> my commands:
> gmx convert-tpr -s previous.tpr -extend 2000 -o next.tpr
> gmx mdrun -s next.tpr -cpi state.cpt -multi 30 -replex 1000 -reseed -1
>
> I wonder if the option “-reseed -1” is needed again when extending the
> REMD?
>

No

And how about the option: -e .edr, -c .gro, -g .log, are these options
> necessary?
>

No.

Mark


> Best regards,
> Ouyang.
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