Re: [gmx-users] x,y,z components of forces on each atom

[Justin Lemkul]

On 8/30/16 8:32 AM, Markus Kaukonen wrote:

Dear All,
I tried to get forces acting on every atom (fx, fy, fz, not the total force
on atom).
Is this somehow possible with standard gromacs 2016?


Extract them from the .trr file with gmx traj -of.

-Justin

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==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

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[gmx-users] x,y,z components of forces on each atom

[Markus Kaukonen]

Dear All,
I tried to get forces acting on every atom (fx, fy, fz, not the total force
on atom).
Is this somehow possible with standard gromacs 2016?
terveisin, Markus

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