the system.
can i do that with gromacs ? i know that computing deltaG is ***trivial***
(not the best word,i know), but what about "absolute" values?
On Oct 2, 2012 7:26 PM, "Justin Lemkul" wrote:
>
>
> On 10/2/12 12:49 PM, Edward Deira wrote:
>
>> Dear all,
&g
Dear all,
I'm currently starting to dwell deeper in MD, and I'm taking some time to
understand what's going on inside the gromacs "black-box".
In one of those dwellings, I came across an older post [
http://www.mail-archive.com/gmx-users@gromacs.org/msg42568.html] which
reads:
Question:
4. In ffn
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