Hi Vijay,
in leap, unfortunately there is a difference between the setbox <unit>
vdw and the set <unit> box {values} command.
Your command setbox still tries to figure out the vdw boundary of your
system and ignores the remaining parameters. Try
set bilayer box {135.400400 74.936200 60.000000}
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
The Scripps Research Institute
10550 N. Torrey Pines Rd.
San Diego CA 92037, USA
On Thu, 6 Mar 2008, Vijay Manickam Achari wrote:
> Dear AMBER experts,
>
> I would like to make an inquiry about using setBox command.
>
> When I use the command as setBox bilayer vdw it put a box with
dimensions 135.400400 74.936200 123.006200 around my bilayer system.
> After browsing AMBER archive
http://archive.ambermd.org/200708/0210.html , I
used the command as below setBox bilayer vdw {135.400400 74.936200
60.000000}.
>
> But I cant see any changes in the box size. It remain the same 135.400400 74.936200 123.006200. Can anyone help me out on how to fix the box size as 135.400400 74.936200 60.000000 ?
>
> Thank you.
> Regards
>
> Vijay Manickam
>
>
> Vijay Manickam Achari
> (Phd Student c/o Prof Rauzah Hashim)
> Chemistry Department,
> University of Malaya,
> Malaysia
> vjramana.gmail.com
>
> ---------------------------------
> Sent from Yahoo! Mail.
> A Smarter Inbox.
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Received on Sun Mar 09 2008 - 06:07:16 PDT
