Sorry, I mailed three times here.
I forgot to mention to .... My system is very huge, so I can not
do 'edit selected atoms' in xleap . The program will be freezed if I do.
So, I tried not to select all atoms in my system. I tried to select
my hand-made moleclue before loadPdb, and do as follows
> edit XXX
select all atoms
pull down edit tab and select ' edit selected atoms' .
XXX contains about 130 atoms. It is hard to decied them to be
pertubated.
But, it is o.k. However there is a problem.
What is PERT.TYPE?
In amber6 mannual, 'null' or 'STRING' . Does this mean the type of an
atom can only
change another type of an atom ? What is STRING ?
Can I change a residue to another residue or num?
Is there other ways to do it in text command? ( I prefer to do in text
command.)
I have amber4.1 program, but I do not know about amber4.1.
Maybe Prep command is useful for Gibbs. But I do not know
how to use it.
if anyone can solve my problem, please teach me.
Yu Kaneko
kaneko_at_aqua.chem.nagoya-u.ac.jp
Nagoya Uni.
Received on Sat Mar 10 2001 - 00:12:10 PST
