Dear all,
Thank Darden and Duan for answering my question. After diff the two
topology files I have, I found it's something else, not the solvent.
remove command in leap seems to work correctly. The IFBOX > 0 part
from the two topology files are identical. I think one can manually
edit this section of the topology file to fix the number of solvent,
like in creating belly topology when having a multimolecular solute,
for example double strand DNA. Am I right?
--
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790
Received on Mon Mar 17 2003 - 05:53:01 PST
