Dear Sir,
I have tried this commands but still it is creating a box of different dimensions. for example if i give command like:
setBox am22 vdw 30.0
output is
Box Dimension 21.727 29.252 10.217
if i give command
setBox am22 vdw {30.0 20.9 28.9}
it still gives the same dimension box.
Please try me the mistake i am doing. I have compiled my Amber9 again after patching Bugfix.all
reagrds
"David A. Case" <case.scripps.edu> wrote: On Mon, Aug 13, 2007, priya priya wrote:
> setBox am22 vdw [30.0]
use either something like this:
setBox am22 vdw 30.0 (for isotropic box)
or
setBox am22 vdw { 30.0 29.5 33.4 } (for anisotropic box)
...good luck...dac
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Received on Wed Aug 15 2007 - 06:07:40 PDT
