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<p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height:
normal;"><span style="font-size: 12pt; font-family: "Times
New Roman","serif";">Dear all,
<br>
<br>
I know similar topics have already been discussed, but there is
a question
regarding pairwise forces that could not be resolved by reading
the mailing
list. <br>
<br>
Our group has already done some rather long simulations and
according to the
script files forces are written every 10000 steps and can be
accessed via
trjconv with -cf option that assigns each atom a temperature
factor. I was
wondering if that is the way gromacs stores the forces in the
trajectory file.
Or are the temperature factors calculated from other (maybe
pairwise)
forces? <br>
<br>
I also had a look at FDA gromacs that is able to write out
pairwise forces, but
unfortunately it falls back on the rather slow gromacs routines
and we want to
avoid rerunning our simulations if possible. <br>
<br>
Sincerely, <br>
Reiner<br style="">
<br style="">
</span></p>
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