$AMBERHOME/exe/sander -O
Capitalized o (not zero) should work.
Best,
lina
On Thu, 2010-02-18 at 14:58 +0100, MASLYK, MACIEJ MARCIN wrote:
> Hi,
> maybe it should be
> $ sander -O ........
>
> you have it in the message :
> usage: sander [-O|A] ........
>
> regards
>
> Maciek
>
>
> hi ,
> After giving this command for running sander, following error is coming.
>
> $ sander O -i polyAT_vac_init_min.in -o polyAT_vac_init_min.out -p
> polyAT_vac.prmtop -c polyAT_vac.inpcrd -r polyAT_vac_init_min.rst
>
> mdfil: Error unknown flag: O
>
> usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
> [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
> rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo
> -radii radii -y inptraj]
> Consult the manual for additional options.
>
>
> So how to resolve this problem.
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Received on Thu Feb 18 2010 - 06:30:03 PST
