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updated doc for new fix restrain output

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robeme
2018-05-08 10:11:00 +02:00
parent 6960529594
commit 53fc9f1f0f
1 changed files with 10 additions and 4 deletions
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14
doc/src/fix_restrain.txt
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@ -187,10 +187,16 @@ added forces to be included in the total potential energy of the
system (the quantity being minimized), you MUST enable the
"fix_modify"_fix_modify.html {energy} option for this fix.
This fix computes a global scalar, which can be accessed by various
"output commands"_Section_howto.html#howto_15. The scalar is the
potential energy for all the restraints as discussed above. The scalar
value calculated by this fix is "extensive".
This fix computes a global scalar and vector of length 3, which can be
accessed by various "output commands"_Section_howto.html#howto_15. The
scalar is the potential energy for all the restraints as discussed above.
The vector values are the following global quantities:
1 = bond energy
2 = angle energy
3 = dihedral energy :ul
The scalar and vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.