It ran your test case...
Send me your worst possible test case if you have it and I'll make sure it runs it...
-----Original Message-----
From: Sasha Buzko [mailto:obuzko.ucla.edu]
Sent: Friday, September 17, 2010 15:55
To: AMBER Mailing List
Subject: [AMBER] restraints in pmemd.cuda
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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
-----------------------------------------------------------------------------------
This email message is for the sole use of the intended recipient(s) and may contain
confidential information. Any unauthorized review, use, disclosure or distribution
is prohibited. If you are not the intended recipient, please contact the sender by
reply email and destroy all copies of the original message.
-----------------------------------------------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 17 2010 - 17:30:03 PDT
