Hi all,
Thanks for your help thus far.
So, I've managed to route (what I think is) the force array, F, into the
velocity output file (when ntwv>0) prior to getting them replaced by the
"old" positions (step 3 in runmd.f). Is it safe to assume that the units
for these values are based on the internal units, kcal/(mol x angstroms)?
dsw
On Mon, 1 Dec 2003, Carlos Simmerling wrote:
> I think you want corpac(), called from runmd and
> located in dynlib.f
> Carlos
>
> ----- Original Message -----
> From: "Dave S Walker" <dswalker.darkwing.uoregon.edu>
> To: <amber.scripps.edu>
> Sent: Monday, December 01, 2003 9:04 PM
> Subject: AMBER: sander output
>
>
> > Hi all,
> > I'm trying to locate the code that generates the output into the
> > mdcrd and mdvel files in sander. Does anyone know which file/files I need
> > to explore? Any help would be greatly appreciated.
> >
> > dsw
> >
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>
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Received on Wed Jan 14 2004 - 15:53:05 PST
