g_mindist also has something useful in this direction, I guess.
Dr. Vitaly V. Chaban
On Sat, Sep 14, 2013 at 12:10 AM, Rama ramkishn...@gmail.com wrote:
Hi ,
I there any tool to calculate distance between particular atom from one
group(protein) to particular atom from another group(DMPC
Hi ,
I there any tool to calculate distance between particular atom from one
group(protein) to particular atom from another group(DMPC lipid in Bilayer).
For Example: protein backbone Amide(HN) to acyl chain carbon atom(C2D) in
DMPC lipid.
Thanks
Rama
--
View this message in context:
Thanks Mark.
I was using the following command as I got it in the manual.
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg
But I could not able to find the way how to specify the indices of the
two desired atoms.
( suppose I want to plot the distance between atom no. 500 (protein
On 20/09/2012 4:21 PM, tarak karmakar wrote:
Thanks Mark.
I was using the following command as I got it in the manual.
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg
But I could not able to find the way how to specify the indices of the
two desired atoms.
( suppose I want to plot the
thanks a lot Mark
On Thu, Sep 20, 2012 at 12:31 PM, Mark Abraham mark.abra...@anu.edu.au wrote:
On 20/09/2012 4:21 PM, tarak karmakar wrote:
Thanks Mark.
I was using the following command as I got it in the manual.
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg
But I could not
Dear All,
I want to calculate the distance between the nitrogen atom present in
the ligand and the H- attached to the backbone of the protein along a
long trajectory. So can anyone suggest me how to consider these two
atoms to calculate and plot the distance along with the time ?
--
Tarak
--
Thanks Justin.
But in my case I want to plot the distance between one atom in the
backbone of the protein and other atom present in the ligand. Then how
can I specify these two atoms I need for plotting the distance between
them.
On Thu, Sep 20, 2012 at 12:26 AM, Justin Lemkul jalem...@vt.edu
On 20/09/2012 2:05 PM, tarak karmakar wrote:
Thanks Justin.
But in my case I want to plot the distance between one atom in the
backbone of the protein and other atom present in the ligand. Then how
can I specify these two atoms I need for plotting the distance between
them.
g_dist treats the
8 matches
Mail list logo