Dear GROMACS users,
Recently, I am trying to compute the RDF between the COMs of five molecules
using gmx rdf. The detailed command I wrote is as follows:
gmx rdf -f *.xtc -s *.tpr -n *.ndx -b * -e * -rdf mol_com -norm -o rdf.xvg
I've made an index file of a group formed by the five
Dear Eric.
I am now also calculating the angle between normal vector of plane 1 and com
vector of plane 1 and plane 2. I also use the following command you used in the
mail (with small modifications).
gmx gangle -f file.trr -s file.tpr -n file.ndx -g1 plane -group1 'z 0 to 1
and group
Dear GROMACS users,
I am now using gromacs 5.0.4 to calculate the angle between the normal vector
of a plane 1 and the COM (center of mass) vector of plane 1 and plane 2, I used
the following command:
gmx gangle -f *.xtc -s *.tpr -n *.ndx -g1 plane -group1 plane 1 (I tried to use
this command
of
a plane
Hi,
Can't you get the angle you want by subtracting the one you have from 90?
Mark
On 15/04/2015 5:58 pm, LIANG Xujun xujun.li...@cea.fr wrote:
Dear GROMACS users,
I am now using gromacs 5.0.4 to calculate the angle between the normal
vector of a plane 1 and the COM (center
:46
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] command line with gmx_mpi gangle for choosing the
vector formed by coms of two planes
On Wed, Apr 8, 2015 at 10:33 AM, LIANG Xujun xujun.li...@cea.fr wrote:
Hello all,
I have one question:
I would like to compute the angle
Hello all,
I have one question:
I would like to compute the angle between the normal vector of plane 1 and the
com vector of plane 1 and plane 2 using gmx_mpi gangle (version 5.0.4). The
command is as follows:
gmx_mpi gangle -f xtc -s tpr -n ndx -g1 plane -group1 -g2 vector
