I've got this figured out I think, the sa component was causing the hiccup I
was seeing. I've got the calcs running with gbsa=0
-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf
Of Paul Brandt
Sent: Friday, May 21, 2010 12:19 AM
To: 'AMBER Mailing List'
Subject: [AMBER] minimization with pmemd and gbsa=1
Does pmemd10 support minimization with GB solvation? I'm hoping to use the
patch for cuda support and do my minimizations on a gpu.
Thanks.
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Received on Fri May 21 2010 - 02:30:05 PDT
