[gmx-users] continuing a MD simulation on different architectures

[andrea spitaleri]

Dear all,
is there any problem to continue (extend) a simulation using a different architecture hardware?
I have a set of simulations coming from xt4 and xt5 architecture (eepc and csc clusters) and I would
like to extend the simulation step on my cluster (intel) using the previous cpt file and generating
the new tpr on my cluster. I did it and it runs, however I was wondering about the physical and
chemical reliability.

thanks in advance

Regards

andrea

-- 
-------------------------------
Andrea Spitaleri PhD
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
Tel: 0039-0226434348/5622/3497/4922
Fax: 0039-0226434153
-------------------------------

-----------------------------------------------------------------

La tua mano puo' lasciare un segno importante.
Dona il tuo 5 per mille al San Raffaele di Milano.

E' SEMPLICE E NON COSTA NULLA.
Basta indicare nell'apposito riquadro della dichiarazione dei redditi "Finanziamento della ricerca sanitaria"
il codice fiscale della Fondazione Centro S. Raffaele del Monte Tabor:
03 06 42 80 153 e ricordarsi di firmare.
Per saperne di piu':  5permille at hsr.it o vai sul sito  http://www.5xmille.org.