[gmx-users] g_mdmat truncation distance for contacts

rajat desikan rajatdesikan at gmail.com
Tue May 13 08:07:22 CEST 2014


Hi All,
g_mdmat computes uses the truncation distance for residue contacts by
considering the minimum distance between residues. However, the papers I
referred to has a Calpha-Calpha or Cbeta-Cbeta cutoff of 10-12 angstrom
(default g_mdmat truncation criteria is 1.5 nm). Can anybody give heuristic
suggestions about the truncation distance value?

Thank you all for your time.

Regards,

-- 
Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore


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