Dear Dan,
thank you very much for your help.
But now I am having another problem. I am trying to run a NVT simulation
using the latter restart file generated by cpptraj, but when I try this in
the output file of the NVT simulation is shown the following error: I could
not find the number of atoms or the time on the second line of your inpcrd
file [New_2NPT.rst]. Bad INPCRD file!
Could you help me with this?
Thank you in advance,
Lucas
On Mon, Dec 17, 2018 at 3:14 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> You can try to use cpptraj for this:
>
> parm myparm.parm7
> trajin restart.rst7
> box x <x value> y <y value> z <z value>
> trajout restart.newbox.rst7
> go
>
> Hope this helps,
>
> -Dan
>
> On Mon, Dec 17, 2018 at 11:43 AM Lucas Bandeira
> <bandeiralucas97.gmail.com> wrote:
> >
> > Dear AMBER comunnity,
> >
> > I'm trying to modify the box lengths in a .rst file according to AMBER
> > Advance Tutorial Section 2. I want to add the average box length in the
> > restart file, but I have no idea what to do, I have tried ChBox, but it
> > doesn't work. Could you help me with this problem?
> >
> > Thank you
> >
> > Lucas
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 17 2018 - 10:30:02 PST
