Hi Raghuvir,
As of AMBER 8 there is no longer a default leaprc. Hence you need to always source one either within leap itself:
source leaprc.ff99SB
or on the command line:
tleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99SB
This decision was made because there really no "default" force field anymore and this way the user is forced to choose a force field and it should be clear to them which force field they are using.
All the best
Ross
_____
From: R G V [mailto:e.raghuvir.gmail.com]
Sent: Sunday, July 22, 2007 23:10
To: amber_tutorial_query.rosswalker.co.uk
Subject: Query
Hello Sir
I have a small problem
when I type xleap or tleap I do not get the default leaprc
how do I configure that?
Regards
--
Raghuvir R.S.Pissurlenkar
Ph.D. (Tech.) Scholar
Lect. of Pharm. Chem.
Dr. Coutinho's Drug Design Laboratory.
Dept. of Pharmaceutical Chemistry
Bombay College of Pharmacy
Kalina, Santacruz (East), Mumbai - 400098
Ph. No.:+91-22-26670871 Extn:46
Fax No. +91-22-26670816
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Received on Wed Jul 25 2007 - 06:07:19 PDT
