[gmx-users] Doubt in nmol tool

[Soham Sarkar]

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, <sundi6170 at gmail.com> wrote:

> 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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>