[gmx-users] ATB & SWISSPARAM Topologies

Anirban reach.anirban.ghosh at gmail.com
Tue May 15 11:54:18 CEST 2012


How accurate are the topologies of non-standard molecules generated by ATB
or SWISSPARAM for GROMACS? Are they acceptable for publications? Are we
required to carry out manual checks like that required for PRODRG outputs?
Any suggestion is welcome.

Thanks and regards,

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