Thank you Justin sir for the reply. I have resolved my problem.
On Wed, May 8, 2019, 5:57 PM Justin Lemkul wrote:
>
>
> On 5/7/19 1:41 AM, ISHRAT JAHAN wrote:
> > -- Forwarded message -
> > From: ISHRAT JAHAN
> > Date: Tue, May 7, 2019 at 11:05 AM
> > Subject: atoms are not
On 5/7/19 1:41 AM, ISHRAT JAHAN wrote:
-- Forwarded message -
From: ISHRAT JAHAN
Date: Tue, May 7, 2019 at 11:05 AM
Subject: atoms are not part of any of the T-Coupling groups
To:
Dear all,
I am trying to calculate the lennard Jones interaction energy between
protein and
>From your mdp file, I guess you did not couple solvent and ions.
How many atoms in your system? and how many for protein, how many for
Urea_5ofprot
On Tue, May 7, 2019 at 7:41 AM ISHRAT JAHAN wrote:
> -- Forwarded message -
> From: ISHRAT JAHAN
> Date: Tue, May 7, 2019 at
-- Forwarded message -
From: ISHRAT JAHAN
Date: Tue, May 7, 2019 at 11:05 AM
Subject: atoms are not part of any of the T-Coupling groups
To:
Dear all,
I am trying to calculate the lennard Jones interaction energy between
protein and urea in the first solvation shell. I have
