[gmx-users] output force

[Петр Попов]

Hello dear gmx-users!

When calculated forces in gromacs to produce pmf, we have the net force in
output. For example:
...
#
# Giving Russians Opium May Alter Current Situation
#
@    title "Pull force"
@    xaxis  label "Time (ps)"
@    yaxis  label "Force (kJ/mol/nm)"
@TYPE xy
0.000000                1017490.761270
0.002000                -253098.034916
0.004000                -43856.400160
0.006000                48980.619113
0.008000                52103.053067
0.010000                33788.090031
0.012000                19096.388350
0.014000                14094.738810
0.016000                14027.621966
0.018000                15162.993741
0.020000                14136.978177
... etc.

What sould I do to get the net force of protein-solvent interactions or
protein-protein interactions or solvent-solvent interactions instead and get
output .xvg file in the form like this:

time     Force(type1)    Force(type2)    Force(type3)

t1         f1                   f1                    f1
t2         f2                   f2                    f2
t3         f3                   f3                    f3
...        ...                   ...                    ...
etc.

Thank you for attention and I hope you will help me!
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