[HN Gopher] Leap - Chemistry Through a Computational Lens
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       Leap - Chemistry Through a Computational Lens
        
       Author : oumua_don17
       Score  : 15 points
       Date   : 2024-07-15 19:25 UTC (3 hours ago)
        
 (HTM) web link (ambermd.org)
 (TXT) w3m dump (ambermd.org)
        
       | toddm wrote:
       | Great to see LEaP (and AMBER) on the front page of HN!
       | 
       | Note that LEaP is one part of the AmberTools suite of programs
       | and is used to prepare systems for subsequent molecular dynamics
       | simulations.
       | 
       | - Long-time AMBER disciple/user
        
       | vapemaster wrote:
       | not hating on the great amber - but why LEaP on the front page of
       | HN with no context...?
       | 
       | happy to see some light shown on the grim state of comp chem file
       | formats and their shockingly lossy interconversion but I'm not
       | sure that was the OP's intent?
        
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       (page generated 2024-07-15 23:00 UTC)