/* _______________________________________________________________________ * * RDPARM/PTRAJ: APR 2000 * _______________________________________________________________________ * * $Header: /thr/gamow/cvsroot/amber7/src/ptraj/rms.h,v 1.4 2000/05/10 21:52:01 cheatham Exp $ * * Revision: $Revision: 1.4 $ * Date: $Date: 2000/05/10 21:52:01 $ * Last checked in by $Author: cheatham $ * * This source is now archived under CVS at Scripps in the amber7 tree. * * NOTE: this is a beta, pre-release version, is under constant development, * probably contains some bugs and is under constant revision; therefore * take care. Please report bugs (and fixes!) to cheatham@chpc.utah.edu or * cheatham@cgl.ucsf.edu * * Do not distribute this code without explicit permission. * Do not incorporate into other codes without explicit permission. * * Current contact information: * * Thomas Cheatham, III * 2000 East, 30 South, Skaggs Hall 201 * Department of Medicinal Chemistry * University of Utah * Salt Lake City, UT 84112-5820 * cheatham@chpc.utah.edu * (801) 587-9653 * FAX: (801) 585-5366 * * Other contributors: * * David Case (Scripps) * Michael Crowley (Scripps) * Jed Pitera (UCSF) * Vickie Tsui (Scripps) * _______________________________________________________________________ */ /* Header file for rms.c */ #ifndef RMS_MODULE # ifdef __STDC__ double rms(int n, int mode, double *weights, int *mask, double *toFitX, double *toFitY, double *toFitZ, double *X, double *Y, double *Z, double rotation[3][3], double translation[3], int fit); double rmsf(int n, int mode, double *weights, int *mask, float *toFitX, float *toFitY, float *toFitZ, float *X, float *Y, float *Z, float rotation[3][3], float translation[3], int fit); # else double rms(); double rmsf(); # endif #endif