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normal 0-backward.gro does not contain backmapped topologies

  • naveen
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6 years 4 months ago #7446 by naveen
0-backward.gro does not contain backmapped topologies was created by naveen
Hi all,

I am currently working on trying to map a lipid bilayer from CG to gromos54a7. When I keep looking at 0-backward.gro, the file contains the exact same information as my initial CG gro file. ie, backward.py is not performing any mapping and 0-backward.gro is still course grained.

Any suggestions on why this is happening? Does this indicate an error in my maps?

Cheers, Naveen

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6 years 4 months ago #7447 by tsjerk
Replied by tsjerk on topic 0-backward.gro does not contain backmapped topologies
Are you sure you used an _atomistic_ target topology?

Cheers,

Tsjerk

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  • naveen
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6 years 4 months ago #7448 by naveen
Replied by naveen on topic 0-backward.gro does not contain backmapped topologies
Hi! I failed to specify my target topology!

Thanks,
Naveen

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