Hi,
You can use grompp to generate velocities, use editconf to turn the .tpr
into a .gro file, and then do some operation on the velocities (e.g. add
constants to various groups) but this won't help much in the condensed
phase, because of collisions. Pulling groups is a different matter - see
Thanks again for your reply Dr. Lemkul.
I was also expecting a disaster because I gave an unrealistic starting
velocity of the structure. But the simulation was running fine. I tried
using the gmxdump and found that the velocities I am getting are not the
velocities I've given to the atoms.
In
On 5/3/15 5:51 AM, Jashimuddin Ashraf wrote:
Thanks for your reply Dr. Lemkul. I was simulating a small carbon nanotube
to test the idea. So, I added three extra columns after the coordinates
inside my .gro file like this-
==
Thanks for your reply Dr. Lemkul. I was simulating a small carbon nanotube
to test the idea. So, I added three extra columns after the coordinates
inside my .gro file like this-
==
Georgetown Riga Oslo
On 5/2/15 12:27 PM, Jashimuddin Ashraf wrote:
Dear Gromacs users,
I was wondering if it is possible to give an initial velocity to any group
of atoms in GROMACS? I went through the manual but could not find any
suitable solution to it. Is the parameters related to Velocity generation
in the
