Hello,
If you want some help, please show all your input file.
See you later ;-))
Pascal.
On Jan 1, 10:04am, Peter Varnai wrote:
> Subject: ptraj image for octahedral box
> Dear Amber Users,
>
> I am trying to postprocess a trajectory of a simulation
> in a octahedral box to get the water molecules back to
> the box around a DNA (atoms 1-762):
>
> image center familiar com :1-762
>
> The result is a discontinuous, fragmented water environment
> around the DNA. Help on how to do this correctly with ptraj
> (amber6) is welcome!
>
> Thank you,
> Peter Varnai
>-- End of excerpt from Peter Varnai
--
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Pascal Bonnet pascal_at_qorws1.uab.es
Unitat Quimica Organica and Institut de Chimie Organique et Analytique
Facultat de Ciences UFR Sciences - UMR 6005
Universitat Autonoma de Barcelona Rue de Chartres - BP 6759
08193 Bellaterra (SPAIN) 45067 ORLEANS CEDEX 2 - France
Tel: 34935811266 Tel: 0238494577
Fax: 34935811265
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Received on Tue Mar 13 2001 - 17:28:47 PST
