Hi,
Tutorials are only meant to introduce you to certain concepts - they
should not be taken as "this is the absolute way you must do this". In
certain cases you may want to continue from a previously equilibrated
structure (irest = 1 etc), but in other cases you may not want to. So
I don't think any corrections are needed (but maybe I'm not
understanding your issue).
-Dan
On Thu, Feb 4, 2016 at 10:51 AM, abdennour braka
<abdennour.braka.univ-orleans.fr> wrote:
> Dear Amber users,
> I ran an REMD simulations using the tutorial scripts:
> http://ambermd.org/tutorials/advanced/tutorial7/
> and i realized that for the "remd.mdin": irest=0 and ntx=1
> Do i take into account my stage of eqilibration in this case.
> If not, Please check and correct it.
>
> Best,
>
> A.BRAKA
>
>
> //
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 04 2016 - 11:00:05 PST
