[gmx-users] more frames...

[Giorgos Karvounis]

On Wed, 2003-02-26 at 22:40, Giorgos Karvounis wrote:
> > Even so, i will never be able to reproduce exactly the same
> coordinates and velocities with my original run , since i am using
> T-coupling , am i right? I am trying to reproduce , if possible,
exactly
> the same run, just with more frames. It seems that it starts off with
> the same coordinates and velocities but after some time, the box size
,
> coordinates and velocities deviate from my original run.I assume that
> this is due to T and P coupling but i am not sure.Is it possible in
any
> way to reproduce  exactly the same run?
>
Not right now without hacking the code. It can be done in principle by
storing an extra frame of velocities. (at time t, and t-delta t)

Dear all,

 From what i understood from David's answer, the only way that i can
reproduce exactly the same run is to hack the code. I am happy to do
that since it is very important to me to regenerate the same coordinates
and velocities with my original run (not starting from the begining but
starting from a frame). But its not so clear to me what to hack and why.
I though the problem was on T/P coupling. So how will i be able to sort
this by storing an extra frame of velocities at time t ,and t-delta  t?

cheers

Giorgos