On Mon, Oct 17, 2016 at 12:26 PM, Life Sciences Inc
<contact.lifesciences.inc.gmail.com> wrote:
> I know I can only give one
> molecule to be used as anchor and the rest of the molecules will be fixed
> to that anchor molecule and imaging will be done , but this is what I don't
> want.
Unfortunately this is what 'autoimage' does. You can't force it to use
more than one molecule as an anchor point. When I'm imaging systems
like this I try to use the molecule that I want at the center of my
re-imaged system as the anchor (a lipid in the center of the XY plane
for example).
If you absolutely need to center w.r.t. a specific center of mass you
can use the 'center' command followed by an 'image' command, but be
warned this in general tends to require a lot of tweaking to get right
(which is why 'autoimage' exists in the first place).
Hope this helps,
-Dan
>
> I am getting following error and warning
>
> Error: Anchor mask [:1-400.P] corresponds to 0 mols, should only be 1.
> Warning: Setup failed for [autoimage anchor :1-400.P origin triclinic ]:
> Skipping
>
> can anyone let me know , how to image the trajectory correctly.
>
> Thank you all
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Oct 17 2016 - 11:00:02 PDT
