AMBER Archive (2004)

Subject: Re: AMBER: what's the meaning of parameter NRUN

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Tue Mar 09 2004 - 08:04:29 CST

which AMBER version are you using? You are
reading the AMBER6 manual but don't say if
you are using the old AMBER6. NRUN is no longer used.
Carlos

----- Original Message -----
From: "scopio" <scopio_at_163.com>
To: <amber_at_scripps.edu>
Sent: Tuesday, March 09, 2004 8:40 AM
Subject: AMBER: what's the meaning of parameter NRUN

> Hi all
>
> The parameter NRUN in manual of Amber6 is described as followed :
> *****
> NRUN Number of MD-runs of NSTLIM steps to be performed; default is 1.
> *****
>
> But when I was reading an Amber tutorial found at
> http://www.chem.neu.edu/web/Course/Chm3620/Lab3Amber.pdf, papge 11, the
> meaning of it is described as:
> ****
> NRUN new run (=0) or restart of a previous run (=1)
> ****
>
> I am confused now, which one is the correct description ?
>
>
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