[gmx-users] Re: Extending simulations

[Dr. Vitaly Chaban]

perhaps mdrun -cpi -deffnm full

will also do the job in your case



On Wed, May 29, 2013 at 6:36 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> I do not remember all the keys.
>
> Rename your files to their default names and you will have nothing to
> specify except
>
> mdrun -cpi
>
>
>
>
> On Wed, May 29, 2013 at 6:31 PM, Fábio Filippi Matioli <
> fabiofima at hotmail.com> wrote:
>
>> Hello, i'm who asked about extending simulations.
>> You sad for me pen teh checkpoint file, u say the file .cpt?
>> But its a binary file... Can you give a example of extending simulation
>> if my first mdrun its this:
>>
>> mdrun -v -s full -o full -e full -c after_full -np 8 -gflog >&full.job
>>
>> Tnks
>>
>> *Fábio Filippi Matioli*
>> Graduando em Física Médica
>> UNESP-Botucatu
>> Tel (19) 9291.6738
>>
>
>