AMBER Archive (2001)

Subject: Re: ptraj image for octahedral box

From: Pascal Bonnet (pascal_at_qorws1.uab.es)
Date: Tue Mar 13 2001 - 19:28:47 CST

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
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