Dhanyavad!!
On Mon, 8 Apr 2019, 16:34 Soham Sarkar, wrote:
> No need to use -nmol
>
> On Mon, 8 Apr 2019, 4:21 pm nidhi, wrote:
>
> > That means there is no need of using -nmol option.
> >
> > Thank You very much :)
> >
> >
> > On Mon, Apr 8, 2019 at 3:57 PM Soham Sarkar wrote:
> >
> > > In
No need to use -nmol
On Mon, 8 Apr 2019, 4:21 pm nidhi, wrote:
> That means there is no need of using -nmol option.
>
> Thank You very much :)
>
>
> On Mon, Apr 8, 2019 at 3:57 PM Soham Sarkar wrote:
>
> > In that case select all c-alpha and make a group in index.ndx and run gmx
> > gyrate for
That means there is no need of using -nmol option.
Thank You very much :)
On Mon, Apr 8, 2019 at 3:57 PM Soham Sarkar wrote:
> In that case select all c-alpha and make a group in index.ndx and run gmx
> gyrate for this group only and you are done.
>
> On Mon, 8 Apr 2019, 3:09 pm nidhi,
In that case select all c-alpha and make a group in index.ndx and run gmx
gyrate for this group only and you are done.
On Mon, 8 Apr 2019, 3:09 pm nidhi, wrote:
> I want to to calculate Rg of whole protein in the simulation box at a time
> not the individual chains.
> And for this I have
I want to to calculate Rg of whole protein in the simulation box at a time
not the individual chains.
And for this I have selected Rg for "C-alpha" atoms plus "-nmol 3" .
Thank You,
Sundari
On Mon, Apr 8, 2019 at 2:50 PM Soham Sarkar wrote:
> What do you want?
> Do you want to calculate the
What do you want?
Do you want to calculate the radius of gyration of the three chain at a
time?
If so then make a index of these protein chains together and calculate rg
by selecting it. If not then calculate the chain's rg individually.
-Soham
On Mon, 8 Apr 2019, 2:36 pm Sundari, wrote:
> Dear
Dear Gromacs users,
Can anyone explain about -nmol (number of molecules ) option in gmx gyrate
tool. According to me I have 3 peptide chains in my simulation box and I am
using " -nmol 3".
Is it correct what I have used for this option?
Regards
Sundari
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