Loading doc/src/fix_restrain.txt +5 −4 Original line number Diff line number Diff line Loading @@ -187,10 +187,11 @@ 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 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: This fix computes a global scalar and a global vector of length 3, which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the total potential energy for {all} the restraints as discussed above. The vector values are the sum of contributions to the following individual categories: 1 = bond energy 2 = angle energy Loading Loading
doc/src/fix_restrain.txt +5 −4 Original line number Diff line number Diff line Loading @@ -187,10 +187,11 @@ 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 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: This fix computes a global scalar and a global vector of length 3, which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the total potential energy for {all} the restraints as discussed above. The vector values are the sum of contributions to the following individual categories: 1 = bond energy 2 = angle energy Loading
