[gmx-users] box size & continuing the previous energy minimization

[Amit Choubey]

On Thu, Dec 23, 2010 at 2:41 PM, mustafa bilsel <mfbilsel at gmail.com> wrote:

> Hi,
>
> 1. How can I learn the box shape and size of a completed simulation?
>

check the end of the resulting gro file .


> 2. I want to keep going the previous completed energy minimization by
> increasing nsteps. How can I do this?
>

increase in nsteps, and may be the tolerance too.


>
> Best wishes
> Mustafa
>
>
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