Dear all,
I like to calculate the conformation tensor for a mass of a short polymer.
The conformation tensor is defined as c_ij = 3* ( /
<(Re_bulk)^2>), in which Re_i and Re_j are the Cartesian components of the
Re as the end-to-end vector. Several gmx options are available to calculate
the end-t
Hello everybody,
In order to solve the PBC at the end I use the command:
*gmx trjconv -s md_0_1.tpr -f md_0_1.xtc -o md_noPBC.xtc -pbc mol *
followed by:
*gmx trjconv -s md_0_1.tpr -f md_noPBC.xtc -o md_noPBC.pdb*
I want to solve this problem after the energy minimization but I don't have
.x
Dear Dr. Lemkul I did it. It works. Thank you very much for the advise.
Now I am having issues opening the (.xpm) files generated that contain for
example the gibbs energy landscape on the two first eigenvectors of the
dPCA.
If I use the command "gmx xpm2ps -f gibbs-1_2.xpm -w yes -o gibbs-1_2.ep
Hi GROMACS users,
The official release of GROMACS 2020.2 is available!
This second patch release again fixes issues found since the initial
release of GROMACS 2020 and the release of 2020.1. We encourage all
users of the 2020
series to update to 2020.2. Please see the link to the release notes
On 4/30/20 7:10 AM, Sadaf Rani wrote:
Dear Justin
I have removed the blank lines but getting a new warning while doing gmx
pdb2gmx:-
WARNING: Duplicate line found in or between hackblock and rtp entries
I am not getting what else is wrong. Could you please help me to figure out.
I have shar
Dear Justin
I have removed the blank lines but getting a new warning while doing gmx
pdb2gmx:-
WARNING: Duplicate line found in or between hackblock and rtp entries
I am not getting what else is wrong. Could you please help me to figure out.
I have shared the file on the following link:-
https:/