AMBER Archive (2004)

Subject: AMBER: non-isotropic pressure scaling

From: Lubos Vrbka (shnek_at_tiscali.cz)
Date: Wed Mar 24 2004 - 06:38:08 CST

hi guys,

i'm currently using amber for simulating non-isotropic system
(interface) under constant pressure conditions. whereas sander (version
7) works fine with ntp=2, pmemd doesn't support it yet (version 3.01).
do any of newer versions of pmemd support this? and if not, is there
plan to include the support in some of the newer releases? i'd rather
use pmemd here, because i'm running the jobs on parallel machine and
pmemd is ~30% faster...

i was trying to find the full list of pmemd-supported features on net,
but i wasn't succesful...

thanks for help, 

-- 
Lubos
_@_"
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