If there are no periodic box dimensions in the prmtop or
inpcrd files, can these simply be added to these files or
specified in the input file? Or are there additional
parameters that must be set in order for sander to "look"
for the dimensions?
There is an Ifbox var I believe at the beginning of prmtop,
and maybe other gotchas, but might be worth a quick try.
Bill Ross
Received on Mon Mar 26 2001 - 12:06:08 PST
