Loading doc/src/fix_restrain.txt +10 −4 Original line number Diff line number Diff line Loading @@ -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. Loading Loading
doc/src/fix_restrain.txt +10 −4 Original line number Diff line number Diff line Loading @@ -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. Loading
