[gmx-users] cmaptypes format

Justin Lemkul jalemkul at vt.edu
Wed Jan 15 22:47:59 CET 2020



On 1/15/20 2:38 PM, Marcelo Depólo wrote:
> Hi everyone!
>
> I was wondering about the cmaptypes format within cmap.itp file.
>
> [ cmaptypes ]
> C N CT C N 1 24 24\
>
> I understand that C-N-CT-C = phi, N-CT-C-N = psi and 24x24 is the grid
> size. What does this '1' mean?

Probably a useless/dummy function type.

-Justin

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Justin A. Lemkul, Ph.D.
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