[gmx-users] Possible to extract gro file from a tpr?

Alex nedomacho at gmail.com
Fri Mar 30 19:58:12 CEST 2018


Or, and that is a very peculiar option, genion with -conc 0. :)

Alex


On 3/30/2018 4:28 AM, Justin Lemkul wrote:
> On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl <vivecalindahl at gmail.com>
> wrote:
>
>> Hi users,
>>
>> Is it possible to extract a gro file from a tpr?  Unfortunately 'gmx mdrun
>> -nsteps 0' does not give a confout.gro :)
>>
> Just use editconf.
>
> -Justin
>
>
>> --
>> Viveca
>> --
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