AMBER Archive (2003)

Subject: RE: leap remove command

From: CUI, Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Sun Mar 16 2003 - 23:30:44 CST

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