[gmx-users] Special atom distance matrix

Dana Dogaru danutzadb at mymail.ro
Sun Mar 27 23:34:34 CEST 2005

   I have a question regarding how can one bind two new residues (which are
   not amino-acids).
   As far as I understood one has to write the new bonds in the specbond.dat
   file. If the distance between the two residues is within 10% of the
   distance given in specbond.dat file , then Gromacs will make a bond.
   Still , in the special atom distance matrix I have connected residues,
   which are far away.

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