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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 system (the quantity being minimized), you MUST enable the
"fix_modify"_fix_modify.html {energy} option for this fix. "fix_modify"_fix_modify.html {energy} option for this fix.
This fix computes a global scalar, which can be accessed by various This fix computes a global scalar and vector of length 3, which can be
"output commands"_Section_howto.html#howto_15. The scalar is the accessed by various "output commands"_Section_howto.html#howto_15. The
potential energy for all the restraints as discussed above. The scalar scalar is the potential energy for all the restraints as discussed above.
value calculated by this fix is "extensive". 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 No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. the "run"_run.html command.