[gmx-users] Force analysis

[Janne Hirvi]

Hello!

I am wondering if there is any way in Gromacs to extract force acting on a
specific atom or group. Atleast g_energy doesnt support this property. I would
like to have forces in different directions to be able to calculate friction
coefficient as a ratio of the friction force and the normal load. One way could
be saving forces to the trajectory and then extracting those with own code, but
I would like to have comment if there is other possibilities or if someone has
already coded this kind of program? 


Thanks for any help! 

Janne

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Janne Hirvi, MSc(Physical Chemistry), Researcher
University of Joensuu, Department of Chemistry, P.O.Box 111 80101 Joensuu, FI
Tel: +358 13 2514544 & +358 50 3474223
E-mail: Janne.Hirvi at joensuu.fi & hirvi at cc.joensuu.fi
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