[gmx-users] g_densmap per slice

Berk Hess gmx3 at hotmail.com
Fri Sep 21 11:37:43 CEST 2007




>From: "Berk Hess" <gmx3 at hotmail.com>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: RE: [gmx-users] g_densmap per slice
>Date: Fri, 21 Sep 2007 11:16:21 +0200
>
>
>
>
>>From: gil claudio <gilclaudio at yahoo.com>
>>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>To: gmx-users at gromacs.org
>>Subject: [gmx-users] g_densmap per slice
>>Date: Fri, 21 Sep 2007 01:37:45 -0700 (PDT)
>>
>>Is there a way to use g_densmap for a slice of the
>>box?  For example, g_densmap can average the density
>>of a box on the x-y plane, and thus average through
>>the z-axis.  If, for example, the z-axis is 10 nm
>>deep, can I use g_densmap to get a slice along the
>>z-axis, for example, along the slice between 1nm to
>>2nm?
>
>Not without editing the code.
>But it should not be do difficult to edit the code to make
>g_densmap do what you want.
>
>Berk.

This seems a useful option, so I have implemented it in CVS,
also for the 3.3.2 release, which should hopefully come out today.

Berk.

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