AMBER Archive (2005)

Subject: AMBER: constrains

From: Gustavo Pierdominici Sottile (gsottile_at_unq.edu.ar)
Date: Mon Feb 14 2005 - 08:53:18 CST

Hi,
   I found the problem that I have with the dynamics. I hed started eith the
systems with constraints in CA atoms at 300 K. When I tried to take out the
constrains, I did it in an abrupt manner and the rms exploted. What I need
is to take off the constrains slowly. How can I do it?
Presicely, I need to do what I did with the temperature (&wt type="temp0",
value1=... &end ; &wt type="temp0", valu1=... &end) but with the constrains.
But I donīt know how to tell the program to take out the constrains slowly
Thanking in advance
Gustavo

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