Comparison of force-field implementations: Difference between revisions

Revision as of 18:51, 23 August 2016

Revision as of 04:32, 24 August 2016

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|-

| [[CHARMM]]

| {{yes}}*

| {{yes}}*

| {{yes}}*

| {{yes|Via CHARMM-GUI}}<ref>[http://www.charmm-gui.org/ CHARMM-GUI]</ref>

| {{some|Full MMFF94, but code rumored unmaintained}}

| {{no}}

| {{no}}

| * in standard distribution

| Standard distribution has CHARMM, AMBER, OPLS

|-

| [http://www.chemkit.org/ chemkit]

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| [[GROMACS]]

| {{yes}}

| {{yes}}*

| {{yes}}*

| {{yes}}

| {{no}}

| {{no}}

| {{no}}

| Standard* in standard distribution since v4.5.0 has CHARMM, AMBER

|-

| HyperChem

Line 201:

| {{no}}

| {{no}}

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

|-

| [http://towhee.sourceforge.net/ Towhee]