> Others alternatives are welcome.
Look up NACCESS. It can do what you want on pdb frames extracted from a
trajectory.
--- On Mon, 12/13/10, Justin A. Lemkul wrote:
> From: Justin A. Lemkul
> Subject: Re: [gmx-users] [Fwd: g_sas for each residu]
> To: "Discussion list
On 12/13/10, Stephane Abel wrote:
> Hi all,
>
>
> I would like to use g_sas to compute and give surface area changes of each
> residu of a peptide (25 AA long) and *not* the average per residu given by
> the argument -or) along the simulation time. If yes how ? Of course, i
> think, i can
Stephane Abel wrote:
Hi all,
I would like to use g_sas to compute and give surface area changes of
each residu of a peptide (25 AA long) and *not* the average per residu
given by the argument -or) along the simulation time. If yes how ? Of
course, i think, i can use an index file, but for
Hi all,
I would like to use g_sas to compute and give surface area changes of
each residu of a peptide (25 AA long) and *not* the average per residu
given by the argument -or) along the simulation time. If yes how ? Of
course, i think, i can use an index file, but for 25 AA, it will take a
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