AMBER Archive (2000)

Subject: GB vs. GB/SA

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Mon Nov 20 2000 - 08:09:08 CST

dear amber(6) users,
is there a significant difference between
imlicit solvent MD trajecories with and without the SA contribution ?
( i guess the structures should be a little bit more compact
  with SA turned on, but is there any significant difference ?)
lack of CPU time has prevented me from do a systematic comparison,
but maybe anyone else has done it ?

thanks in advance,
best regards
w.a. svrcek-seiler 

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