Hi Navanath,
It is better if you post such questions to the AMBER mailing list. See
http://lists.ambermd.org/ for signup details. I am cc'ing this reply there.
That way others can help answer your questions more promptly and everyone
can benefit from the replies.
The behavior you describe is correct for AMBER 9 and later. There is no
longer a default force field that is loaded. This is described in the
beginning of the AmberTools manual. You need to manually source a force
field. E.g. if you want to use FF99SB then you would enter the following in
xleap:
source leaprc.ff99SB
Good luck,
Ross
From: Navanath Kumbhar [mailto:nmkumbhar.gmail.com]
Sent: Tuesday, May 04, 2010 5:08 AM
To: Ross Walker
Subject: about xleap parameter files
Dear Sir,
Xleap is opened but it not loads parameter files for nucleic acids, amino
acids, ions and solvents, which opens in normal xleap.
After opening xleap it gives following error:
welcome yo LEap!
(no leaprc in search path)
In terminal it showed
(-I: Adding /usr/local/amber10/dat/leap/prep to search path.
-I: Adding /usr/local/amber10/dat/leap/lib to search path.
-I: Adding /usr/local/amber10/dat/leap/parm to search path.
-I: Adding /usr/local/amber10/dat/leap/cmd to search path.)
I think that's why i am unable to visualize DNA molecule during running
amber tutorials.
So please tell me, how can i solve this problem.
Thanks and great regards
from
Navanath Kumbhar
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Received on Tue May 04 2010 - 07:00:03 PDT
