[gmx-users] Doubt in nmol tool

Soham Sarkar soham9038 at gmail.com
Mon Apr 8 11:20:25 CEST 2019

What do you want?
Do you want to calculate the radius of gyration of the three chain at a
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.

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
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