[gmx-users] Number of Contacts

Sundari chaudhary sundi6170 at gmail.com
Tue Jun 27 17:27:30 CEST 2017


Dear all,

I want to calculate the number of inter-peptide and intra-peptide
side-chain–side-chain contacts and the criteria to form a contact is that:
the distance between the centers of mass of two residues is less than a
specified distance. I tried gmx mindist and gmx distance command lines but
i got wrong results.

Please suggest me right command line to do this analysis.


Thank you!

Sundari


More information about the gromacs.org_gmx-users mailing list