amber-developers: leaprc questions

From: Scott Brozell <>
Date: Sat, 31 Mar 2007 11:44:10 -0800


Why does this file not exist: leaprc.rna.ff03 ?

Why is the organization of the leaprc files inconsistent ?
One would expect that a diff between dna and rna leaprc pairs
would show only dna and rna diffs. Instead there are some
curious and irrelevant diffs: diff leaprc*.ff94
(what's up with { "EP" "" "sp3" } ? how about consistent comments ?)

Missing atom types for ions were finally added in ff03, but why
were they missing in ff99, etc ? The comment in ff03 is useless:
# things should be there

I plan to upgrade DOCK's Amber Score from ff94 to ff03.
Comments are welcome.

Received on Sun Apr 01 2007 - 06:07:59 PDT
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