[AMBER] nmropt option

From: Jio M <jiomm.yahoo.com>
Date: Fri, 4 Sep 2009 19:05:25 +0100

Dear Amber users;



anybody please tell use of nmropt . I am doing annealing. I did
annealing with both nmropt = 1 and nmropt = 0... and what is
requirement to use nmropt option..(as much I know,may be wrong also, it
helps in temp0 recognition )



hope  following information will suffice this discussion:



for nmropt = 1, when I plotted Radius of gyration(Rg), the graph shows
smooth ups and downs in curve i.e. Rg is varying, as expected, because
temp is varied in annealing



but for  nmropt = 0  Rg donot vary,  it decreases
initialy  and remain same after that.. no ups and down in curve as
it should be..



thanks and regards,

JIomm


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 14 2009 - 11:51:40 PDT
Custom Search