Howdy:
First thing you need to do is use the command
sander/pme
rather than just the command
sander
This will use the namelist variables that are appropriate for
sander_pme. Using simply the "sander" command is appropriate
for using sander_classic.
dap
Sophia Kondratova wrote:
>
> 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 - 10:34:31 PST
