[AMBER] REMD tutorial

From: abdennour braka <abdennour.braka.univ-orleans.fr>
Date: Thu, 04 Feb 2016 18:51:23 +0100

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
Received on Thu Feb 04 2016 - 10:00:03 PST
Custom Search