Priya,
I reported a similar problem back in December
(
http://amber.ch.ic.ac.uk/archive/200612/0082.html) which was fixed with
bugfix.25.
Are you sure you recompiled properly after applying the bugfixes?
Steve.
priya priya wrote:
> 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 - 06:07:41 PDT
