Hello,
I have tried to install the Interface program and I have followed the
instructions for the script install_ambint, which makes an amber.dat file in
the /tmp dir, but when I open this file, it does not contain any commands at
all. As well the amberint manual talked about what was suppose to be in the
amber.def file (the commands in there), and when I opened the amber.def file
in the amber6 dir, it was also blank. I am not sure if the install_int script
did not install Interface properly, but when I type
/usr/local/amber6/exe/interface -t
/usr/local/amber6/src/interface/tmp/amber.dat -i testgibb.example the
following error is shown
-ERROR - from routine: RDUCOM
Unrecognized command in user_command_file: gibbs
Current UC-file line (from testgibb.example):
gibbs
Last TEMPLATE-file line (from ):
(none)
I think that there is something wrong with the amber.def file, because as I
undersand it, its suppose to contain commands that will make up the amber.dat
file
Any help would be greatly appreciated.
Sophia Kondratova
Biochemistry Graduate Student
University of New Brunswick
Fredericton, Canada
Received on Fri Oct 19 2001 - 10:25:19 PDT
