Re: amber-developers: Short_ene/clambda

From: Thomas Steinbrecher <>
Date: Tue, 13 Nov 2007 19:16:44 -0800 (PST)


ok, I figured out why I put clambda into short_ene's variables at first
(cause its needed) and why I removed it later (its available via
including md.h anyway, so no need to pass it). I removed clambda from the
short_ene call in get_nb_energy (in short_ene.f) and from the
get_nb_energy call in ew_force.



Dr. Thomas Steinbrecher
The Scripps Research Institute
10550 N. Torrey Pines Rd.
San Diego CA 92037, USA

On Thu, 8 Nov 2007, Crowley, Michael wrote:

> Hi Thomas,
> The trouble is that clambda is not in the dummy variables or declared in
> short_ene.
> As you say, you should resolve the discrepancy, happy traveling
> Mike
> On 11/8/07 1:39 AM, "" <> wrote:
>> Hi everyone,
>> regarding clambda in short_ene, I put it there and I believe it is still
>> needed. Im travelling so I dont have the code in front of me, but iirc, in
>> short_ene.f ew_directe3/4.h are included, which have clambda dependent
>> formulas in them.
>> I'll check that as soon as I'm back at Scripps.
>> Kind Regards,
>> Thomas
Received on Wed Nov 14 2007 - 06:07:55 PST
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