Hi ALL
I am facing a problem with autoimage, I want to image my bilayer and water,
in a way that centroid of all 400 phosphate atom in a bilayer act as a
reference to image the trajectory.
Following is my input which I am using for autoimage
1 parm lipid_400.psf
2 trajin all.dcd
3 autoimage anchor :1-400.P origin triclinic
4 trajout autoimaged.dcd charmm
5 go
I tried different variants of this input such as without anchor, without P
atom but everytime it is returning an error. 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.
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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Received on Mon Oct 17 2016 - 09:30:05 PDT
