RE: curves

From: Wing Lok Abe Kurtz <kurtz_at_iris.chem.cuhk.edu.hk>
Date: Mon 5 Mar 2001 08:46:54 +0800

Hi,

If you are using Curves 5.3, you will find a directory named "data" in the curves directory.
There are several examples for running the program.
For example, a script file named "c5_abase" is as follows,

c5_abase
-------------
/home/hibou/sg/cur5/Cur5_s <<!
 &inp file=abase.pdb,comb=.t.,lis=c5_abase,
 pdb=c5_abase,grv=.t., &
2 11 -11 0 0
 1 2 3 4 5 -6 7 8 9 10 11
12 13 14 15 16 17 18 19 20 21 22
0. 0. 0. 0.
!
---------------

Please download the manual and read the details about keywords in the script.
Then you just only run "c5_abase" in the c-shell. It will OK.

Hope it can help.

Cheers,

Kurtz Chiu
Dept. of Chemistry,
The Chinese University of Hong Kong
Hong Kong




-----Original Message-----
From: Troy Bothwell [mailto:tbothwe1_at_bigred.unl.edu]
Sent: Monday, March 05, 2001 7:27 AM
To: Amber
Subject: curves


Hello all,

Sorry to ask a question about the CURVES program, but I'm having trouble
running an input script for the program. What exactly is the command line I
need to type?

Troy
Received on Sun Mar 04 2001 - 16:46:54 PST
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