Which force fields are available in Desmond?

From Maestro, Desmond uses OPLS_2005. However, other force fields can be applied from the command line.

The viparr.py utility provided by D. E. Shaw Research allows you to apply the following force fields:

amber03
amber94
amber96
amber99
amber99SB
amber99SB-ILDN
charmm22nocmap
charmm27
charmm32
charmm36_lipids
oplsaa_impact_2001
oplsaa_impact_2005
oplsaa_ions_Jensen_2006
pff
spc
spce
tip3p
tip3p_charmm
tip4p
tip4pew
tip5p

Also, starting with Suite2009, the amber_prm2cms.py Python script can be used to convert a GAFF parameter and topology file to Desmond-readable format.

Keywords: Desmond, force field, amber, charmm

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