Comparison of force-field implementations: Difference between revisions

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Latest revision as of 19:00, 11 February 2025

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{{short description|None}}

This is a table of notable computer programs implementing [[molecular mechanics]] [[Force field (chemistry)| force fields]]. <!-- Only for programs/packages with their own article. Packages without article will be removed. -->

This is a table of notable computer programs implementing [[molecular mechanics]] [[Force field (chemistry)| force fields]]. <!-- Only for programs/packages with their own article. Packages without article will be removed. -->

{| class="wikitable"

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| {{no}}

| * in standard distribution since v4.5.0

|-

| [[HyperChem]]

| {{yes}}

| {{yes}}

| {{yes}}

| {{no}}

| {{yes|(MM+)}}

| {{no}}

| {{no}}

|

|-

| [[Molecular Operating Environment|MOE]]

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| {{no}}

|

|-

| [[Openbabel]]

| {{no}}

| {{yes}}

| {{no}}

| {{yes}}

| {{yes|(MM+)94, 94s}}

| {{no}}

| {{yes}}

|

|-

| [[Q (software)|Q]]

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| {{no}}

| For [[protein]]s, [[Organic compound|organic molecules]]

|-

| [[Towhee]]

| {{yes|UA, AA}}

| {{yes|86}}

| {{yes|19, 22, 27}}

| {{no}}

| {{yes|94}}

| {{no}}

| {{yes}}

| [[Monte Carlo method|Monte Carlo]]

|-

| [[Yasara]]

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{{Reflist}}

[[Category:Force fields (chemistry)]]

[[Category:Molecular modelling]]

[[Category:Software comparisons]]