I meant subset :)
On Wed, Dec 12, 2012 at 8:21 PM, Kavyashree M wrote:
> Sir,
>
> Oh! I was using sunset index numbers for both. I am sorry. I will try
> that and see. First option as protein and next the subset. Thank you
> very much.
>
> Kavya
>
>
>
> On Wed, Dec 12, 2012 at 8:16 PM, Justin Le
Sir,
Oh! I was using sunset index numbers for both. I am sorry. I will try
that and see. First option as protein and next the subset. Thank you
very much.
Kavya
On Wed, Dec 12, 2012 at 8:16 PM, Justin Lemkul wrote:
>
>
> On 12/12/12 9:37 AM, Kavyashree M wrote:
>
>> Thank you very much for yo
On 12/12/12 9:37 AM, Kavyashree M wrote:
Thank you very much for your replies.
The system consists of a homodimer in tip4p dodecahedron box
simulated using OPLSAA ff.
The A B C here are the amino acids:
A- S T N Q G P H
B- A V L I M C F Y W
C- D E K R
So these are set in an index file and i
Thank you very much for your replies.
The system consists of a homodimer in tip4p dodecahedron box
simulated using OPLSAA ff.
The A B C here are the amino acids:
A- S T N Q G P H
B- A V L I M C F Y W
C- D E K R
So these are set in an index file and i used each one of these
to calculate sasa in g
Hi Kavya,
Can you better describe your system?
As Mark suggested, could you supply some number?
Francesco
2012/12/12 Mark Abraham
> On Wed, Dec 12, 2012 at 9:06 AM, Kavyashree M wrote:
>
> > Dear users,
> >
> > I was calculating solvent accessible surface area for a trajectory
> > using g_sas
On Wed, Dec 12, 2012 at 9:06 AM, Kavyashree M wrote:
> Dear users,
>
> I was calculating solvent accessible surface area for a trajectory
> using g_sas. I used an index file with 3 sets (A, B, C) of mutually
> exclusive residues but summing up to 20 amino acids. Then using
> g_sas calculated sas
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