[gmx-users] Re: Extending simulations
Dr. Vitaly Chaban
vvchaban at gmail.com
Wed May 29 18:38:01 CEST 2013
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
>> *Fábio Filippi Matioli*
>> Graduando em Física Médica
>> Tel (19) 9291.6738
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