Thanks for the promt reply.In the tutorial, It is given that, after
loading the prep file(created by antechember), it has to be loaded
into xleap so that the unit corresponding to the prep file is loaded
in leap. ok, upto this point, I understand. But suppose, I creat a
prep file using antichember named, say, XXX. Now, I have created
another unit Named YYY using traditional AMBER force field,i.e.,
PARM99. Now, I load the XXX unit in leap. Now I want to study the MD
simulation of the YYY-XXX assembly. XXX is bind to the YYY by only
non-bonded interaction. ok? So, now how will I proceed further? What
are the comment etc so that I can combine the two units... Can You
give me some examples on this particular problem?
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Received on Mon May 07 2012 - 10:30:02 PDT
