Hello,
I am trying to use interface to do some examples posted on the web,
particularly the methane min, md and the input file that interface generates
cannot be read by sander, because it complains that there are some missing
variables.
namelist read: variable not in namelist
apparent state: unit 5 named min1.inp
last format: list io
lately reading sequential formatted external IO
However, when I use sander_classic, the min and md seems to run. I have
amber6, so therefore I would assume that I would have the latest version of
interface that would properly convert the interface input file to a file that
sander could read as well as sander_classic. Maybe there is a file I am
missing or I have to go and change something in one of the .def file that
define the variables that interface should put in.
Any help would be appreciated
Sophia Kondratova
Chemistry Graduate Student
University of New Brunswick
Fredericton, Canada
Received on Tue Oct 30 2001 - 05:06:03 PST
