AMBER: trying ff99SP

From: Grange Hermitage <>
Date: Mon, 18 Aug 2008 15:42:33 +0930


To give ff99SP a run for a helix-coil experiment for comparison with ff99SB,
should I:
source oldff/leaprc.ff99
loadamberparams frcmod.ff99SP

or is something more elaborate in order:
copy leaprc.ff99SB as leaprc.ff99SP
replace frcmod.ff99SB with frcmod.ff99SP in leaprc.ff99SP


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Received on Wed Aug 20 2008 - 06:07:17 PDT
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