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Huh, they used two different versions of the Amber software: v10 for molecular dynamics, v15 to calculate spatial distribution functions. Amber: http://ambermd.
by gnat 9y ago
Huh, they used two different versions of the Amber software: v10 for molecular dynamics, v15 to calculate spatial distribution functions. Amber: http://ambermd.org/ http://ambermd.org/ I wonder why.
- bllguo 9y ago> Spatial distribution functions (SDFs) were calculated using the Grid command implemented in the AmberTools suite of programs (v. 15, USCF, San Francisco, USA) Likely has to do with improvements to this Grid feature?
- Eigenstate 9y agoI use Amber to do similar calculations. It's distributed as a free set of analysis and preparatory programs called AmberTools, which is the V15 software cited, and a licensed simulation program, which is v10. Interestingly, that is a super old version (usually it's released every other year or so with the number corresponding to the year)