Question primarily for Scott and Ross.
I assume that the fix for restraints in NTP within the pmemd.cuda code
is coming up. A quick question: does it address the FIND/SEARCH card
behavior within the GROUP definition? For instance, I'm trying to
equilibrate an RNA structure and keep the backbone restrained for some
time. Will I be able to define that group with the fixed pmemd.cuda version?
Also, I know that you guys have a lot on your hands, but any idea when
this fix might become available?
Thanks in advance
Sasha
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Received on Fri Sep 17 2010 - 16:00:10 PDT
