Thanks
On Sat, Feb 15, 2020, 8:02 PM Justin Lemkul wrote:
>
>
> On 2/15/20 4:50 AM, Devargya Chakraborty wrote:
> > i want to calculate the order prameter between two carbon atom namrd C01
> > and C03 in my topology file but while calculating, i am getting the
> > following error.
>
> gmx order
On 2/15/20 4:50 AM, Devargya Chakraborty wrote:
i want to calculate the order prameter between two carbon atom namrd C01
and C03 in my topology file but while calculating, i am getting the
following error.
gmx order is designed to compute deuterium order parameters in alkyl
chains. It
I guess you have not made your index file correctly. It should contain only
the group for which you will calculate the order parameter.
On Sat, Feb 15, 2020 at 3:21 PM Devargya Chakraborty <
devargyachakraborty@gmail.com> wrote:
> i want to calculate the order prameter between two carbon
