src/tools/addconf.h

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  38 #include "typedefs.h"
  39
  40 extern
  41 void add_conf(t_atoms *atoms, rvec **x, rvec **v, real **r, gmx_bool bSrenew,
  42               int ePBC, matrix box, gmx_bool bInsert,
  43               t_atoms *atoms_solvt,rvec *x_solvt,rvec *v_solvt,real *r_solvt,
  44               gmx_bool bVerbose,real rshell,int max_sol, const output_env_t oenv);
  45 /* Add two conformations together, without generating overlap.
  46  * When not inserting, don't check overlap in the middle of the box.
  47  * If rshell > 0, keep all the residues around the protein (0..natoms_prot-1)
  48  * that are within rshell distance.
  49  * If max_sol > 0, add max max_sol solvent molecules.
  50  */