Hi,
In amber6, the box information from restart files will override A, B,
and C in your input file. The box information specified in your input file
will override that of parm file. If you're using older version, I remember
the box size should be better dividable by 2, 3 or 5 to make the calculation
faster. The larger the box size, more time is needed. Perhaps it's automatic
in amber6 now.
Regards,
Guanglei Cui
-----Original Message-----
From: Raja Swaminathan [mailto:rajaamber6_at_rediffmail.com]
Sent: Friday, February 16, 2001 12:25 PM
To: amber_at_cgl.ucsf.edu
Subject: periodic box size
hi amber users
i have done md simulations on a 14 mer DNA duplex.
the box size is
42.7539974 43.0651857 45.8525446
i have used the next line as 43 43 46
will it be there any problem in md simulations or
the system will take only more computational time.
thanks
raja
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Received on Fri Feb 16 2001 - 10:30:27 PST
