Hi Gromacs Users.
I has been a simulation with gromacs 2016 but my simulation stopped by an
energy break. i try to restar in the last checkpoint but this does work and
send me this error:
Expected output files not present or named differently:
cbd211_md.log
cbd211_md.xtc
cbd211_md.trr
cbd21
Use -deffnm flag and specify the name ..same as the previous output
file...do not forget to give the -append flag
On Sat, Nov 17, 2018, 3:09 AM Mario Andres Rodriguez Pineda <
mand...@iq.usp.br> wrote:
> Hi Gromacs Users.
> I has been a simulation with gromacs 2016 but my simulation stopped by an
Use the following command...
Gmx mdrun -v -s cbd211_md.tpr -cpi cbd211_md.cpt -append -deffnm cbd211_md
On Sat, Nov 17, 2018, 9:26 AM Bratin Kumar Das <177cy500.bra...@nitk.edu.in>
wrote:
> Use -deffnm flag and specify the name ..same as the previous output
> file...do not forget to give the -app
--
>
> Message: 1
> Date: Sat, 17 Nov 2018 09:33:24 +0530
> From: Bratin Kumar Das <177cy500.bra...@nitk.edu.in>
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Recovery simulation error
> Message-ID:
&g
t; ------
> >
> > Message: 1
> > Date: Sat, 17 Nov 2018 09:33:24 +0530
> > From: Bratin Kumar Das <177cy500.bra...@nitk.edu.in>
> > To: gmx-us...@gromacs.org
> > Subject: Re: [gmx-users] Recovery simu
