Re: amber-developers: Problems with restrts and igb>0

From: Carlos Simmerling <carlos.ilion.bio.sunysb.edu>
Date: Sun, 31 Oct 2004 14:07:28 -0700

would that explain the difference in results using igb=0 vs igb=1?

Michael Crowley wrote:

>Ross,
>It may be as simple as the precision difference between
>full precision velocities in run 1 and reduced precision from
>the restart due to ascii representation to less-than-full
>precision.
>It would be more apparent in a small system like the one you
>are running than in a larger system.
>
>Mike
>
>
Received on Wed Apr 05 2006 - 23:49:59 PDT
Custom Search