[gmx-users] Print out force field contributions in Gromacs

Ugo Cosentino ugo.cosentino at unimib.it
Tue Oct 17 17:21:01 CEST 2006

I want to import in Gromacs a force field I implemented for lanthanide 
To test this force field in Gromacs with my previous results, I need to 
print out at the cycle zero of energy minimization all the stretching, 
bending etc contributions and parameters. I think an output like:
bond 1-2      kstr=x.xx      b0=y.yy    Estr=z.zz
bond 2-3      kstr=a.aa      b0=b.bb    Estr=c.cc
and so on.
Is it possble?
Thank you very much
Ugo Cosentino

Prof. Ugo Cosentino
Università degli Studi di Milano-Bicocca
Dipartimento di Scienze dell'Ambiente e del Territorio
Piazza della Scienza 1
tel 02 64482822
fax 02 64482839
e-mail ugo.cosentino at unimib.it  

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