AMBER Archive (2009)

Subject: Re: [AMBER] slope {no reply}

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sun Nov 15 2009 - 13:07:02 CST

for (1) it all depends on how you set the thermostat temp0, which
thermostat and what coupling constant. no way to predict your data
without that.

On 11/15/09, Jio M <jiomm_at_yahoo.com> wrote:
>
>
>
>
> Dear Amber users,
>
>
>
> 1) I am performing annealing and want to plot temp vs steps graph ..is
> it neccessary that  temp vs  steps plot  should give
> linear rise or fall of graph of slope 45 degree or it should be linear
> what so ever slope may be ?
>
>
>
> 2) same query as before.. can we solubilize the system with single molecule
> instead of box solvent
>
>
>
> please suggest
>
>
>
> thanks and regards;
>
> Jiomm
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
> 

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Professor, Department of Chemistry
CMM Bldg, Room G80           Phone: (631) 632-1336   Fax: 632-1555
Stony Brook University           E-mail: carlos.simmerling_at_gmail.com
Stony Brook, NY 11794-5115 Web: http://www.simmerlinglab.org
===================================================================

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber